@article{RN1, author = {Ahlawat, P. and Dar, M. I. and Piaggi, P. and Gratzel, M. and Parrinello, M. and Röthlisberger, U.}, title = {Atomistic Mechanism of the Nucleation of Methylammonium Lead Iodide Perovskite from Solution}, journal = {Chem. Mater.}, volume = {32}, number = {1}, pages = {529-536}, ISSN = {0897-4756}, DOI = {10.1021/acs.chemmater.9b04259}, url = {https://doi.org/10.1021/acs.chemmater.9b04259}, year = {2020}, Dataset availability = {no dataset}, type = {Journal Article} } @article{RN2, author = {Akbarimoosavi, M. and Rohwer, E. and Rondi, A. and Hankache, J. and Geng, Y. and Decurtins, S. and Hauser, A. and Liu, S. X. and Feurer, T. and Cannizzo, A.}, title = {Tunable Lifetimes of Intramolecular Charge-Separated States in Molecular Donor-Acceptor Dyads}, journal = {J. Phys. Chem. C}, volume = {123}, number = {14}, pages = {8500-8511}, ISSN = {1932-7447}, DOI = {10.1021/acs.jpcc.8b11066}, url = {https://doi.org/10.1021/acs.jpcc.8b11066}, year = {2019}, type = {Journal Article} } @article{RN3, author = {Alanazi, A. Q. and Kubicki, D. J. and Prochowicz, D. and Alharbi, E. A. and Bouduban, M. E. F. and Jahanbakhshi, F. and Mladenovic, M. and Milic, J. V. and Giordano, F. and Ren, D. and Alyamani, A. Y. and Albrithen, H. and Albadri, A. and Alotaibi, M. H. and Moser, J. E. and Zakeeruddin, S. M. and Röthlisberger, U. and Emsley, L. and Grätzel, M.}, title = {Atomic-Level Microstructure of Efficient Formamidinium-Based Perovskite Solar Cells Stabilized by 5-Ammonium Valeric Acid Iodide Revealed by Multinuclear and Two-Dimensional Solid-State NMR}, journal = {J. Am. Chem Soc.}, volume = {141}, number = {44}, pages = {17659-17669}, ISSN = {0002-7863}, DOI = {10.1021/jacs.9b07381}, url = {https://doi.org/10.1021/jacs.9b07381}, year = {2019}, type = {Journal Article} } @article{RN4, author = {Arnold, J. and Koner, D. and Käser, S. and Singh, N. and Bemish, R. J. and Meuwly, M.}, title = {Machine Learning for Observables: Reactant to Product State Distributions for Atom-Diatom Collisions}, journal = {J. Phys. Chem. A}, volume = {124}, number = {35}, pages = {7177-7190}, ISSN = {1089-5639}, DOI = {10.1021/acs.jpca.0c05173}, url = {https://pubs.acs.org/doi/abs/10.1021/acs.jpca.0c05173}, year = {2020}, Dataset availability = {Markus Meuwly (https://github.com/MMunibas/DTD)}, type = {Journal Article} } @article{RN5, author = {Ashari-Astani, N. and Jahanbakhshi, F. and Mladenovic, M. and Alanazi, A. Q. M. and Ahmadabadi, I. and Ejtehadi, M. R. and Dar, M. I. and Grätzel, M. and Röthlisberger, U.}, title = {Ruddlesden Popper Phases of Methylammonium-Based Two-Dimensional Perovskites with 5-Ammonium Valeric Acid AVA(2)MA(n-1)Pb(n)I(3n+1) with n=1, 2, and 3}, journal = {J. Phys. Chem. Lett.}, volume = {10}, number = {13}, pages = {3543-3549}, ISSN = {1948-7185}, DOI = {10.1021/acs.jpclett.9b01111}, url = {https://doi.org/10.1021/acs.jpclett.9b01111}, year = {2019}, type = {Journal Article} } @article{RN6, author = {Bacellar, Camila and Kinschel, Dominik and Cannelli, Oliviero and Sorokin, Boris and Katayama, Tetsuo and Mancini, Giulia F. and Rouxel, Jeremy R. and Obara, Yuki and Nishitani, Junichi and Ito, Hironori and Ito, Terumasa and Kurahashi, Naoya and Higashimura, Chika and Kudo, Shotaro and Cirelli, Claudio and Knopp, Gregor and Nass, Karol and Johnson, Philip J. M. and Wach, Anna and Szlachetko, Jakub and Lima, Frederico A. and Milne, Christopher J. and Yabashi, Makina and Suzuki, Toshinori and Misawa, Kazuhiko and Chergui, Majed}, title = {Femtosecond X-ray spectroscopy of haem proteins}, journal = {Faraday Disc.}, ISSN = {1359-6640}, DOI = {10.1039/D0FD00131G}, url = {http://dx.doi.org/10.1039/D0FD00131G}, year = {2021}, Dataset availability = {Majed Chergui (https://osf.io/pdwmx/?view_only=50d1dc9cc5e241d1ac0dfdb12327fd24)}, type = {Journal Article} } @article{RN7, author = {Bacellar, C. and Kinschel, D. and Mancini, G. F. and Ingle, R. A. and Rouxel, J. and Cannelli, O. and Cirelli, C. and Knopp, G. and Szlachetko, J. and Lima, F. A. and Menzi, S. and Pamfilidis, G. and Kubicek, K. and Khakhulin, D. and Gawelda, W. and Rodriguez-Fernandez, A. and Biednov, M. and Bressler, C. and Arrell, C. A. and Johnson, P. J. M. and Milne, C. J. and Chergui, M.}, title = {Spin cascade and doming in ferric hemes: Femtosecond X-ray absorption and X-ray emission studies}, journal = {Proc. Natl. Acad. Sci. U.S.A.}, volume = {117}, number = {36}, pages = {21914-21920}, ISSN = {0027-8424}, DOI = {10.1073/pnas.2009490117}, url = {https://www.pnas.org/content/117/36/21914}, year = {2020}, Dataset availability = {Camila Bacellar, Majed Chergui (https://osf.io/qn4vh/?view_only=956be317ca504caf8c7158b69a9a3dec)}, type = {Journal Article} } @phdthesis{RN8, author = {Bahng, H.-W.}, title = {Photoinduced Charge Transfer Dynamics in Blue-Coloured Diketopyrrolopyrrole (DPP) Dye-Sensitized Solar Cells}, university = {EPFL}, type = {PhD Thesis}, url = {https://memento.epfl.ch/event/photoinduced-charge-transfer-dynamics-in-blue-co-2/}, year = {2019}, type = {Thesis} } @article{RN9, author = {Baldini, E. and Dominguez, A. and Palmieri, T. and Cannelli, O. and Rubio, A. and Ruello, P. and Chergui, M.}, title = {Exciton control in a room temperature bulk semiconductor with coherent strain pulses}, journal = {Sci. Adv.}, volume = {5}, number = {11}, pages = {eaax2937}, ISSN = {2375-2548}, DOI = {10.1126/sciadv.aax2937}, url = {https://advances.sciencemag.org/content/5/11/eaax2937}, year = {2019}, type = {Journal Article} } @article{RN10, author = {Baldini, Edoardo and Palmieri, Tania and Dominguez, Adriel and Rubio, Angel and Chergui, Majed}, title = {Giant Exciton Mott Density in Anatase TiO2}, journal = {Phys. Rev. Lett.}, volume = {125}, number = {11}, pages = {116403}, DOI = {10.1103/PhysRevLett.125.116403}, url = {https://link.aps.org/doi/10.1103/PhysRevLett.125.116403}, year = {2020}, Dataset availability = {Majed Chergui (https://journals.aps.org/prl/supplemental/10.1103/PhysRevLett.125.116403)}, type = {Journal Article} } @article{RN11, author = {Baldini, Edoardo and Sentef, Michael A. and Acharya, Swagata and Brumme, Thomas and Sheveleva, Evgeniia and Lyzwa, Fryderyk and Pomjakushina, Ekaterina and Bernhard, Christian and Schilfgaarde, Mark van and Carbone, Fabrizio and Rubio, Angel and Weber, Cedric}, title = {Electron-Phonon-Driven Three-Dimensional Metallicity in an Insulating Cuprate}, journal = {Proc. Natl. Acad. Sci. U.S.A.}, volume = {117}, number = {12}, pages = {6409-6416}, DOI = {10.1073/pnas.1919451117}, url = {https://doi.org/10.1073/pnas.1919451117}, year = {2020}, Dataset availability = {no dataset}, type = {Journal Article} } @inbook{RN12, author = {Ban, L. and Yoder, B. L. and Signorell, R.}, title = {Photoemission from Free Particles and Droplets}, booktitle = {Annu. Rev. Phys. Chem.}, editor = {Johnson, M. A. and Martinez, T. J.}, series = {Annual Review of Physical Chemistry}, volume = {71}, pages = {315-334}, ISBN = {978-0-8243-1071-4}, DOI = {10.1146/annurev-physchem-071719-022655}, url = {https://www.annualreviews.org/doi/10.1146/annurev-physchem-071719-022655}, year = {2020}, type = {Book Section} } @article{RN13, author = {Ban, Loren and Yoder, Bruce L. and Signorell, Ruth}, title = {Size-Resolved Electron Solvation in Neutral Water Clusters}, journal = {J. Phys. Chem. A}, volume = {125}, number = {24}, pages = {5326-5334}, ISSN = {1089-5639}, DOI = {10.1021/acs.jpca.1c03631}, url = {https://doi.org/10.1021/acs.jpca.1c03631}, year = {2021}, Dataset availability = {Ruth Signorell (https://doi.org/10.3929/ethz-b-000485019)}, type = {Journal Article} } @article{RN14, author = {Ban, L. R. and West, C. W. and Chasovskikh, E. and Gartmann, T. E. and Yoder, B. L. and Signorell, R.}, title = {Below Band Gap Formation of Solvated Electrons in Neutral Water Clusters}, journal = {J. Phys. Chem. A}, volume = {124}, number = {39}, pages = {7959-7965}, ISSN = {1089-5639}, DOI = {10.1021/acs.jpca.0c06935}, url = {https://pubs.acs.org/doi/10.1021/acs.jpca.0c06935}, year = {2020}, Dataset availability = {Ruth Signorell (https://doi.org/10.3929/ethz-b-000438331)}, type = {Journal Article} } @article{RN15, author = {Baykusheva, Denitsa and Zindel, Daniel and Svoboda, Vít and Bommeli, Elias and Ochsner, Manuel and Tehlar, Andres and Wörner, Hans Jakob}, title = {Real-time probing of chirality during a chemical reaction}, journal = {Proc. Natl. Acad. Sci. U.S.A.}, volume = {116}, pages = {23923-23929}, DOI = {10.1073/pnas.1907189116}, url = {https://doi.org/10.1073/pnas.1907189116}, year = {2019}, type = {Journal Article} } @article{RN16, author = {Begusic, T. and Vanicek, J.}, title = {On-the-fly ab initio semiclassical evaluation of third-order response functions for two-dimensional electronic spectroscopy}, journal = {J. Chem. Phys.}, volume = {153}, number = {18}, ISSN = {0021-9606}, DOI = {10.1063/5.0031216}, url = {https://aip.scitation.org/doi/full/10.1063/5.0031216}, year = {2020}, Dataset availability = {Tomislav Begusic, Jiri Vanicek (https://zenodo.org/record/4121622/export/json#.YEdifuYo-L8)}, type = {Journal Article} } @article{RN17, author = {Berger, Arian and Ciardi, Gustavo and Sidler, David and Hamm, Peter and Shalit, Andrey}, title = {Impact of nuclear quantum effects on the structural inhomogeneity of liquid water}, journal = {Proc. Natl. Acad. Sci. U.S.A.}, volume = {116}, number = {7}, pages = {2458-2463}, DOI = {10.1073/pnas.1818182116}, url = {https://doi.org/10.1073/pnas.1818182116 }, year = {2019}, Dataset availability = {Andrey Shalit / Peter Hamm https://doi.org/10.5281/zenodo.5018033}, type = {Journal Article} } @article{RN18, author = {Bircher, Martin P. and López-Tarifa, Pablo and Rothlisberger, Ursula}, title = {Shedding Light on the Basis Set Dependence of the Minnesota Functionals: Differences Between Plane Waves, Slater Functions, and Gaussians}, journal = {J. Chem. Theory Comput.}, volume = {15}, number = {1}, pages = {557-571}, ISSN = {1549-9618}, DOI = {10.1021/acs.jctc.8b00897}, url = {https://doi.org/10.1021/acs.jctc.8b00897}, year = {2019}, type = {Journal Article} } @article{RN19, author = {Bircher, M. P. and Röthlisberger, U.}, title = {From a week to less than a day: Speedup and scaling of coordinate-scaled exact exchange calculations in plane waves}, journal = {Computer Phys. Commun.}, volume = {247}, pages = {106943}, ISSN = {0010-4655}, DOI = {10.1016/j.cpc.2019.106943}, url = {https://doi.org/10.1016/j.cpc.2019.106943}, year = {2020}, Dataset availability = {no dataset}, type = {Journal Article} } @article{RN20, author = {Bircher, M. P. and Villard, J. and Röthlisberger, U.}, title = {Efficient Treatment of Correlation Energies at the Basis-Set Limit by Monte Carlo Summation of Continuum States}, journal = {J. Chem. Theory Comput.}, volume = {16}, number = {10}, pages = {6550-6559}, ISSN = {1549-9618}, DOI = {10.1021/acs.jctc.0c00724}, url = {https://pubs.acs.org/doi/10.1021/acs.jctc.0c00724}, year = {2020}, Dataset availability = {Ursula Röthlisberger (https://pubs.acs.org/doi/10.1021/acs.jctc.0c00724?goto=supporting-info, www.cpmd.org)}, type = {Journal Article} } @article{RN21, author = {Bohinc, R. and Pamfilidis, G. and Rehault, J. and Radi, P. and Milne, C. and Szlachetko, J. and Bencivenga, F. and Capotondi, F. and Cucini, R. and Foglia, L. and Masciovecchio, C. and Mincigrucci, R. and Pedersoli, E. and Simoncig, A. and Mahne, N. and Cannizzo, A. and Frey, H. M. and Ollmann, Z. and Feurer, T. and Maznev, A. A. and Nelson, K. and Knopp, G.}, title = {Nonlinear XUV-optical transient grating spectroscopy at the Si L-2,L-3-edge}, journal = {Appl. Phys. Lett.}, volume = {114}, number = {18}, pages = {181101}, ISSN = {0003-6951}, DOI = {10.1063/1.5085413}, url = {https://doi.org/10.1063/1.5085413}, year = {2019}, type = {Journal Article} } @article{RN22, author = {Bolnykh, V. and Olsen, J. M. H. and Meloni, S. and Bircher, M. P. and Ippoliti, E. and Carloni, P. and Röthlisberger, U.}, title = {Extreme Scalability of DFT-Based QM/MM MD Simulations Using MiMiC}, journal = {J. Chem. Theory Comput.}, volume = {15}, number = {10}, pages = {5601-5613}, ISSN = {1549-9618}, DOI = {10.1021/acs.jctc.9b00424}, url = {https://doi.org/10.1021/acs.jctc.9b00424}, year = {2019}, type = {Journal Article} } @article{RN23, author = {Bolnykh, V. and Olsen, J. M. H. and Meloni, S. and Bircher, M. P. and Ippoliti, E. and Carloni, P. and Röthlisberger, U.}, title = {MiMiC: Multiscale Modeling in Computational Chemistry}, journal = {Frontiers Mol. Biosci.}, volume = {7}, DOI = {10.3389/fmolb.2020.00045}, url = {https://doi.org/10.3389/fmolb.2020.00045}, year = {2020}, Dataset availability = {Ursula Röthlisberger (https://gitlab.com/MiMiC-projects/CommLib, https://gitlab.com/gromacs, https://gitlab.com/MiMiC-projects/MiMiC)}, type = {Journal Article} } @article{RN24, author = {Bolnykh, V. and Röthlisberger, U. and Carloni, P.}, title = {Biomolecular Simulation: a Perspective from High Performance Computing}, journal = {Israel J. Chem.}, volume = {60}, number = {7}, pages = {694-704}, ISSN = {0021-2148}, DOI = {10.1002/ijch.202000022}, url = {https://doi.org/10.1002/ijch.202000022}, year = {2020}, Dataset availability = {P. Carloni (https://gitlab.com/MiMiC-projects/CommLib and https://gitlab.com/gromacs and https://gitlab.com/MiMiC-projects/MiMiC)}, type = {Journal Article} } @article{RN25, author = {Bösch, C. D. and Abay, E. and Langenegger, S. M. and Nazari, M. and Cannizzo, A. and Feurer, T. and Häner, R.}, title = {DNA-Organized Light-Harvesting Antennae: Energy Transfer in Polyaromatic Stacks Proceeds through Interposed Nucleobase Pairs}, journal = {Helv. Chim. Acta}, volume = {102}, number = {8}, pages = {e1900148}, ISSN = {0018-019X}, DOI = {10.1002/hlca.201900148}, url = {https://doi.org/10.1002/hlca.201900148}, year = {2019}, type = {Journal Article} } @article{RN26, author = {Bouduban, Marine E. F. and Queloz, Valentin I. E. and Caselli, Valentina M. and Cho, Kyung Taek and Kirmani, Ahmad R. and Paek, Sanghyun and Roldan-Carmona, Cristina and Richter, Lee J. and Moser, Jacques E. and Savenije, Tom J. and Nazeeruddin, Mohammad Khaja and Grancini, Giulia}, title = {Crystal Orientation Drives the Interface Physics at Two/Three-Dimensional Hybrid Perovskites}, journal = {J. Phys. Chem. Lett.}, volume = {10}, number = {19}, pages = {5713-5720}, DOI = {10.1021/acs.jpclett.9b02224}, url = {https://doi.org/10.1021/acs.jpclett.9b02224}, year = {2019}, type = {Journal Article} } @article{RN27, author = {Boziki, Ariadni and Dar, M. Ibrahim and Jacopin, Gwénolé and Grätzel, Michael and Rothlisberger, Ursula}, title = {Molecular Origin of the Asymmetric Photoluminescence Spectra of CsPbBr3 at Low Temperature}, journal = {J. Phys. Chem. Lett.}, pages = {2699-2704}, DOI = {10.1021/acs.jpclett.1c00263}, url = {https://doi.org/10.1021/acs.jpclett.1c00263}, year = {2021}, Dataset availability = {Ursula Röthlisberger (https://zenodo.org/record/4598847)}, type = {Journal Article} } @article{RN28, author = {Boziki, Ariadni and Kubicki, Dominik J. and Mishra, Aditya and Meloni, Simone and Emsley, Lyndon and Grätzel, Michael and Röthlisberger, Ursula}, title = {Atomistic Origins of the Limited Phase Stability of Cs+-Rich FAxCs(1–x)PbI3 Mixtures}, journal = {Chem. Mater.}, volume = {32}, number = {6}, pages = {2605-2614}, ISSN = {0897-4756}, DOI = {10.1021/acs.chemmater.0c00120}, url = {https://doi.org/10.1021/acs.chemmater.0c00120}, year = {2020}, Dataset availability = {no dataset}, type = {Journal Article} } @article{RN29, author = {Boziki, A. and Mladenovic, M. and Grätzel, M. and Röthlisberger, U.}, title = {Why choosing the right partner is important: stabilization of ternary Cs(y)GUA(x)FA((1-y-x))PbI(3) perovskites}, journal = {Phys. Chem. Chem. Phys.}, volume = {22}, number = {36}, pages = {20880-20890}, ISSN = {1463-9076}, DOI = {10.1039/d0cp03882b}, url = {https://doi.org/10.1039/D0CP03882B}, year = {2020}, Dataset availability = {Ursula Röthlisberger (https://doi.org/10.5281/zenodo.4598132)}, type = {Journal Article} } @article{RN30, author = {Bozovic, O. and Jankovic, B. and Hamm, P.}, title = {Sensing the allosteric force}, journal = {Nature Commun.}, volume = {11}, number = {1}, pages = {5841}, ISSN = {2041-1723}, DOI = {10.1038/s41467-020-19689-7}, url = {https://www.nature.com/articles/s41467-020-19689-7}, year = {2020}, Dataset availability = {Peter Hamm, source data and supplementary information with paper }, type = {Journal Article} } @article{RN31, author = {Bozovic, O. and Zanobini, C. and Gulzar, A. and Jankovic, B. and Buhrke, D. and Post, M. and Wolf, S. and Stock, G. and Hamm, P.}, title = {Real-time observation of ligand-induced allosteric transitions in a PDZ domain}, journal = {Proc. Natl. Acad. Sci. U.S.A.}, volume = {117}, number = {42}, pages = {26031-26039}, ISSN = {0027-8424}, DOI = {10.1073/pnas.2012999117}, url = {https://www.pnas.org/content/117/42/26031.short?rss=1}, year = {2020}, Dataset availability = {Peter Hamm (https://doi.org/10.5281/zenodo.3991616)}, type = {Journal Article} } @article{RN32, author = {Bräm, O. and Cannizzo, A. and Chergui, M.}, title = {Ultrafast Broadband Fluorescence Up-conversion Study of the Electronic Relaxation of Metalloporphyrins}, journal = {J. Phys. Chem. A}, volume = {123}, number = {7}, pages = {1461-1468}, ISSN = {1089-5639}, DOI = {10.1021/acs.jpca.9b00007}, url = {https://pubs.acs.org/doi/10.1021/acs.jpca.9b00007}, year = {2019}, type = {Journal Article} } @article{RN33, author = {Brauer, Jan C. and Tsokkou, Demetra and Sanchez, Sandy and Droseros, Nikolaos and Roose, Bart and Mosconi, Edoardo and Hua, Xiao and Stolterfoht, Martin and Neher, Dieter and Steiner, Ullrich and De Angelis, Filippo and Abate, Antonio and Banerji, Natalie}, title = {Comparing the excited-state properties of a mixed-cation–mixed-halide perovskite to methylammonium lead iodide}, journal = {J. Chem. Phys.}, volume = {152}, number = {10}, pages = {104703}, ISSN = {0021-9606}, DOI = {10.1063/1.5133021}, url = {https://doi.org/10.1063/1.5133021}, year = {2020}, Dataset availability = {Natalie Banerji (https://boris.unibe.ch/id/eprint/141205)}, type = {Journal Article} } @article{RN34, author = {Brickel, Sebastian and Meuwly, Markus}, title = {Molecular Determinants for Rate Acceleration in the Claisen Rearrangement Reaction}, journal = {J. Phys. Chem. B}, volume = {123}, number = {2}, pages = {448-456}, ISSN = {1520-6106}, DOI = {10.1021/acs.jpcb.8b11059}, url = {https://doi.org/10.1021/acs.jpcb.8b11059}, year = {2019}, Dataset availability = {Markus Meuwly (request input files) https://www.charmm.org/}, type = {Journal Article} } @article{RN35, author = {Buhrke, D. and Oppelt, K. T. and Heckmeier, P. J. and Fernandez-Teran, R. and Hamm, P.}, title = {Nanosecond protein dynamics in a red/green cyanobacteriochrome revealed by transient IR spectroscopy}, journal = {J. Chem. Phys.}, volume = {153}, number = {24}, pages = {245101}, ISSN = {0021-9606}, DOI = {10.1063/5.0033107}, url = {https://aip.scitation.org/doi/abs/10.1063/5.0033107}, year = {2020}, Dataset availability = {David Buhrke, Peter Hamm (https://zenodo.org/record/4310961#.YE9fGeYo_GI)}, type = {Journal Article} } @article{RN36, author = {Burgos-Caminal, Andrés and Moreno-Naranjo, Juan Manuel and Willauer, Aurélien René and Paraecattil, Arun Aby and Ajdarzadeh, Ahmad and Moser, Jacques- E.}, title = {Hot Carrier Mobility Dynamics Unravel Competing Subpicosecond Processes in Lead Halide Perovskites}, journal = {J. Phys. Chem. C}, volume = {125}, number = {1}, pages = {98-106}, ISSN = {1932-7447}, DOI = {10.1021/acs.jpcc.0c08492}, url = {https://doi.org/10.1021/acs.jpcc.0c08492}, year = {2021}, Dataset availability = {Jacques Moser (https://zenodo.org/record/4620859#.YFRu2uYo-L8)}, type = {Journal Article} } @article{RN37, author = {Burgos-Caminal, A. and Moreno-Naranjo, J. M. and Willauer, A. R. and Paraecattil, A. A. and Ajdarzadeh Oskouei, A. and Moser, J. E.}, title = {Hot Carrier Mobility Dynamics Unravel Competing Sub-ps Cooling Processes in Lead Halide Perovskites}, journal = {arXiv}, pages = {arXiv:1909.04589}, url = {https://arxiv.org/abs/1909.04589}, year = {2019}, type = {Journal Article} } @article{RN38, author = {Burgos-Caminal, A. and Socie, E. and Bouduban, M. E. F. and Moser, J. E.}, title = {Exciton and Carrier Dynamics in Two-Dimensional Perovskites}, journal = {J. Phys. Chem. Lett.}, volume = {11}, number = {18}, pages = {7692-7701}, ISSN = {1948-7185}, DOI = {10.1021/acs.jpclett.0c02425}, url = {https://pubs.acs.org/doi/abs/10.1021/acs.jpclett.0c02425}, year = {2020}, Dataset availability = {Andres Burgos-Caminal, Jacques Moser (https://zenodo.org/record/4620882#.YFRuw-Yo-L8)}, type = {Journal Article} } @article{RN39, author = {Burian, Max and Pedrini, Bill Francesco and Ortiz Hernandez, Nazaret and Ueda, Hiroki and Vaz, C. A. F. and Caputo, Marco and Radovic, Milan and Staub, Urs}, title = {Buried moiré supercells through SrTiO3 nanolayer relaxation}, journal = {Phys. Rev. Res.}, volume = {3}, number = {1}, pages = {013225}, DOI = {10.1103/PhysRevResearch.3.013225}, url = {https://link.aps.org/doi/10.1103/PhysRevResearch.3.013225}, year = {2021}, Dataset availability = {No dataset available}, type = {Journal Article} } @article{RN40, author = {Burian, Max and Porer, Michael and Mardegan, Jose R. L. and Esposito, Vincent and Parchenko, Sergii and Burganov, Bulat and Gurung, Namrata and Ramakrishnan, Mahesh and Scagnoli, Valerio and Ueda, Hiroki and Francoual, Sonia and Fabrizi, Federica and Tanaka, Yoshikazu and Togashi, Tadashi and Kubota, Yuya and Yabashi, Makina and Rossnagel, Kai and Johnson, Steven L. and Staub, Urs}, title = {Structural involvement in the melting of the charge density wave in 1T−TiSe2}, journal = {Phys. Rev. Research}, volume = {3}, number = {1}, pages = {013128}, DOI = {10.1103/PhysRevResearch.3.013128}, url = {https://link.aps.org/doi/10.1103/PhysRevResearch.3.013128}, year = {2021}, Dataset availability = {Urs Staub (https://archive.materialscloud.org/record/2021.26)}, type = {Journal Article} } @article{RN41, author = {Bürki, N. and Grossenbacher, E. and Cannizzo, A. and Feurer, T. and Langenegger, S. M. and Häner, R.}, title = {DNA-organized artificial LHCs - testing the limits of chromophore segmentation}, journal = {Org. Biomol. Chem.}, volume = {18}, number = {35}, pages = {6818-6822}, ISSN = {1477-0520}, DOI = {10.1039/d0ob01531h}, url = {https://pubs.rsc.org/en/Content/ArticleLanding/2020/OB/D0OB01531H}, year = {2020}, Dataset availability = {Robert Häner, Simon Langenegger (https://boris.unibe.ch/id/eprint/132378)}, type = {Journal Article} } @article{RN42, author = {Cannelli, O. and Bacellar, C. and Ingle, R. A. and Bohinc, R. and Kinschel, D. and Bauer, B. and Ferreira, D. S. and Grolimund, D. and Mancini, G. F. and Chergui, M.}, title = {Toward time-resolved laser T-jump/X-ray probe spectroscopy in aqueous solutions}, journal = {Struct. Dynam.}, volume = {6}, number = {6}, pages = {064303}, DOI = {10.1063/1.5129626}, url = {https://doi.org/10.1063/1.5129626}, year = {2019}, type = {Journal Article} } @article{RN43, author = {Capelli, R. and Lyu, W. P. and Bolnykh, V. and Meloni, S. and Olsen, J. M. H. and Röthlisberger, U. and Parrinello, M. and Carloni, P.}, title = {Accuracy of Molecular Simulation-Based Predictions of k(off) Values: A Metadynamics Study}, journal = {J. Phys. Chem. Lett.}, volume = {11}, number = {15}, pages = {6373-6381}, ISSN = {1948-7185}, DOI = {10.1021/acs.jpclett.0c00999}, url = {https://pubs.acs.org/doi/abs/10.1021/acs.jpclett.0c00999}, year = {2020}, Dataset availability = {Supplementary information with paper (same DOI)}, type = {Journal Article} } @article{RN44, author = {Chergui, M.}, title = {Ultrafast photoinduced energy and charge transfer}, journal = {Faraday Disc.}, volume = {216}, pages = {9-37}, ISSN = {1359-6640}, DOI = {10.1039/c9fd00036d}, url = {https://doi.org/10.1039/C9FD00036D}, year = {2019}, type = {Journal Article} } @article{RN45, author = {Chergui, M.}, title = {Ultrafast molecular photophysics in the deep-ultraviolet}, journal = {J. Chem. Phys.}, volume = {150}, number = {7}, pages = {070901}, ISSN = {0021-9606}, DOI = {10.1063/1.5082644}, url = {https://doi.org/10.1063/1.5082644}, year = {2019}, type = {Journal Article} } @article{RN46, author = {Ciardi, G. and Berger, A. and Hamm, P. and Shalit, A.}, title = {Signatures of Intra- and Intermolecular Vibrational Coupling in Halogenated Liquids Revealed by Two-Dimensional Raman-Terahertz Spectroscopy}, journal = {J. Phys. Chem. Lett.}, volume = {10}, number = {15}, pages = {4463-4468}, ISSN = {1948-7185}, DOI = {10.1021/acs.jpclett.9b01528}, url = {https://doi.org/10.1021/acs.jpclett.9b01528}, year = {2019}, Dataset availability = {Andrey Shalit / Peter Hamm https://doi.org/10.5281/zenodo.5018007}, type = {Journal Article} } @article{RN47, author = {Deng, Yunpei and Zerdane, Serhane and Xie, Xinhua and Divall, Edwin and Johnson, Philip J. M. and Arrell, Christopher and Lemke, Henrik Till and Mankowsky, Roman and Oggenfuss, Alex and Svetina, Cristian and Erny, Christian and Cirelli, Claudio and Milne, Christopher and Knopp, Gregor and Beaud, Paul and Johnson, Steven L.}, title = {Optical second harmonic generation in LiB3O5 modulated by intense femtosecond X-ray pulses}, journal = {Opt. Express}, volume = {28}, number = {8}, pages = {11117-11127}, DOI = {10.1364/OE.388911}, url = {http://www.opticsexpress.org/abstract.cfm?URI=oe-28-8-11117}, year = {2020}, Dataset availability = {no dataset}, type = {Journal Article} } @article{RN48, author = {Desmond, J. L. and Koner, D. and Meuwly, M.}, title = {Probing the Differential Dynamics of the Monomeric and Dimeric Insulin from Amide-I IR Spectroscopy}, journal = {J. Phys. Chem. B}, volume = {123}, number = {30}, pages = {6588-6598}, ISSN = {1520-6106}, DOI = {10.1021/acs.jpcb.9b04628}, url = {https://doi.org/10.1021/acs.jpcb.9b04628}, year = {2019}, Dataset availability = {Markus Meuwly (request input files) https://pubs.acs.org/doi/abs/10.1021/acs.jpcb.9b04628 https://www.charmm.org/}, type = {Journal Article} } @article{RN49, author = {Devereux, M. and Pezzella, M. and Raghunathan, S. and Meuwly, M.}, title = {Polarizable Multipolar Molecular Dynamics Using Distributed Point Charges}, journal = {J. Chem. Theory Comput.}, volume = {16}, number = {12}, pages = {7267-7280}, ISSN = {1549-9618}, DOI = {10.1021/acs.jctc.0c00883}, url = {https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00883}, year = {2020}, Dataset availability = {Mike Devereux, Markus Meuwly (https://github.com/MMunibas/MDCM)}, type = {Journal Article} } @article{RN50, author = {Diamantis, Polydefkis and Hage, Krystel El and Meuwly, Markus}, title = {Effect of Single-Point Mutations on Nitric Oxide Rebinding and the Thermodynamic Stability of Myoglobin}, journal = {J. Phys. Chem. B}, volume = {123}, number = {9}, pages = {1961-1972}, ISSN = {1520-6106}, DOI = {10.1021/acs.jpcb.8b11454}, url = {https://doi.org/10.1021/acs.jpcb.8b11454}, year = {2019}, Dataset availability = {Markus Meuwly (https://www.charmm.org/), please inquire for input data}, type = {Journal Article} } @article{RN51, author = {Diamantis, Polydefkis and Tavernelli, Ivano and Rothlisberger, Ursula}, title = {Vertical Ionization Energies and Electron Affinities of Native and Damaged DNA Bases, Nucleotides, and Pairs from Density Functional Theory Calculations: Model Assessment and Implications for DNA Damage Recognition and Repair}, journal = {J. Chem. Theory Comput.}, volume = {15}, number = {3}, pages = {2042-2052}, ISSN = {1549-9618}, DOI = {10.1021/acs.jctc.8b00645}, url = {https://doi.org/10.1021/acs.jctc.8b00645}, year = {2019}, type = {Journal Article} } @article{RN52, author = {Diamantis, Polydefkis and Tavernelli, Ivano and Röthlisberger, Ursula}, title = {Redox Properties of Native and Damaged DNA from Mixed Quantum Mechanical/Molecular Mechanics Molecular Dynamics Simulations}, journal = {J. Chem. Theory Comput.}, volume = {16}, number = {10}, pages = {6690-6701}, ISSN = {1549-9618}, DOI = {10.1021/acs.jctc.0c00568}, url = {https://doi.org/10.1021/acs.jctc.0c00568}, year = {2020}, Dataset availability = {Ursula Röthlisberger (https://pubs.acs.org/doi/10.1021/acs.jctc.0c00568 and https://zenodo.org/record/4043804#.YEn5xZ1KiM8)}, type = {Journal Article} } @article{RN53, author = {Dingilian, Kayane K. and Lippe, Martina and Kubečka, Jakub and Krohn, Jan and Li, Chenxi and Halonen, Roope and Keshavarz, Fatemeh and Reischl, Bernhard and Kurtén, Theo and Vehkamäki, Hanna and Signorell, Ruth and Wyslouzil, Barbara E.}, title = {New Particle Formation from the Vapor Phase: From Barrier-Controlled Nucleation to the Collisional Limit}, journal = {J. Phys. Chem. Lett.}, volume = {12}, number = {19}, pages = {4593-4599}, DOI = {10.1021/acs.jpclett.1c00762}, url = {https://doi.org/10.1021/acs.jpclett.1c00762}, year = {2021}, Dataset availability = {Ruth Signorell (https://doi.org/10.3929/ethz-b-000462780)}, type = {Journal Article} } @article{RN54, author = {Diulus, J. Trey and Tobler, Benjamin and Osterwalder, Jürg and Novotny, Zbynek}, title = {Thermal oxidation of Ru(0001) to RuO2(110) studied with ambient pressure x-ray photoelectron spectroscopy}, journal = {J. Phys. D: Appl. Phys.}, volume = {54}, number = {24}, pages = {244001}, ISSN = {0022-3727 1361-6463}, DOI = {10.1088/1361-6463/abedfd}, url = {http://dx.doi.org/10.1088/1361-6463/abedfd}, year = {2021}, Dataset availability = {no dataset, data available on request of the author}, type = {Journal Article} } @article{RN55, author = {Dorfler, A. D. and Eberle, P. and Koner, D. and Tomza, M. and Meuwly, M. and Willitsch, S.}, title = {Long-range versus short-range effects in cold molecular ion-neutral collisions}, journal = {Nature Commun.}, volume = {10}, pages = {5429}, ISSN = {2041-1723}, DOI = {10.1038/s41467-019-13218-x}, url = {https://doi.org/10.1038/s41467-019-13218-x}, year = {2019}, Dataset availability = {Markus Meuwly (in-house code, D. Koner, to be published)}, type = {Journal Article} } @article{RN56, author = {Dornes, C. and Acremann, Y. and Savoini, M. and Kubli, M. and Neugebauer, M. J. and Abreu, E. and Huber, L. and Lantz, G. and Vaz, C. A. F. and Lemke, H. and Bothschafter, E. M. and Porer, M. and Esposito, V. and Rettig, L. and Buzzi, M. and Alberca, A. and Windsor, Y. W. and Beaud, P. and Staub, U. and Zhu, Diling and Song, Sanghoon and Glownia, J. M. and Johnson, S. L.}, title = {The ultrafast Einstein–de Haas effect}, journal = {Nature}, volume = {565}, number = {7738}, pages = {209-212}, ISSN = {1476-4687}, DOI = {10.1038/s41586-018-0822-7}, url = {https://doi.org/10.1038/s41586-018-0822-7}, year = {2019}, Dataset availability = {Dataset pending}, type = {Journal Article} } @article{RN57, author = {Fu, X. W. and Barantani, F. and Gargiulo, S. and Madan, I. and Berruto, G. and LaGrange, T. and Jin, L. and Wu, J. Q. and Vanacore, G. M. and Carbone, F. and Zhu, Y. M.}, title = {Nanoscale-femtosecond dielectric response of Mott insulators captured by two-color near-field ultrafast electron microscopy}, journal = {Nature Commun.}, volume = {11}, number = {1}, ISSN = {2041-1723}, DOI = {10.1038/s41467-020-19636-6}, url = {https://www.nature.com/articles/s41467-020-19636-6}, year = {2020}, Dataset availability = {Datasets available on request}, type = {Journal Article} } @article{RN58, author = {Fuchs, Jaco and Douguet, Nicolas and Donsa, Stefan and Martin, Fernando and Burgdörfer, Joachim and Argenti, Luca and Cattaneo, Laura and Keller, Ursula}, title = {Time delays from one-photon transitions in the continuum}, journal = {Optica}, volume = {7}, number = {2}, pages = {154-161}, DOI = {10.1364/OPTICA.378639}, url = {https://doi.org/10.1364/OPTICA.378639}, year = {2020}, Dataset availability = {Jaco Fuchs, Ursula Keller (https://doi.org/10.3929/ethz-b-000400267)}, type = {Journal Article} } @article{RN59, author = {Fuchs, Jaco and Douguet, Nicolas and Donsa, Stefan and Martín, Fernando and Burgdörfer, Joachim and Argenti, Luca and Cattaneo, Laura and Keller, Ursula}, title = {Towards the complete phase profiling of attosecond wave packets}, journal = {Phys. Rev. Res.}, volume = {3}, number = {1}, pages = {013195}, DOI = {10.1103/PhysRevResearch.3.013195}, url = {https://link.aps.org/doi/10.1103/PhysRevResearch.3.013195}, year = {2021}, Dataset availability = {Ursul Keller, Jaco Fuchs (https://doi.org/10.3929/ethz-b-000400267)}, type = {Journal Article} } @article{RN60, author = {Gao, X. and Sailer, M. A. C. and Liu, Y. D. and Kelly, A. and Richardson, J. O. and Geva, E.}, title = {Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Electronically Nonadiabatic Molecular Dynamics}, journal = {J. Chem. Theory Comput.}, volume = {16}, number = {5}, pages = {2883-2895}, ISSN = {1549-9618}, DOI = {10.1021/acs.jctc.9b01267}, url = {https://doi.org/10.1021/acs.jctc.9b01267}, year = {2020}, Dataset availability = {no datasets, theory paper}, type = {Journal Article} } @article{RN61, author = {Gartmann, Thomas E. and Ban, Loren and Yoder, Bruce L. and Hartweg, Sebastian and Chasovskikh, Egor and Signorell, Ruth}, title = {Relaxation Dynamics and Genuine Properties of the Solvated Electron in Neutral Water Clusters}, journal = {J. Phys. Chem. Lett.}, volume = {10}, number = {17}, pages = {4777-4782}, DOI = {10.1021/acs.jpclett.9b01802}, url = {https://doi.org/10.1021/acs.jpclett.9b01802}, year = {2019}, type = {Journal Article} } @article{RN62, author = {Gatti, G. and Crepaldi, A. and Puppin, M. and Tancogne-Dejean, N. and Xian, L. and De Giovannini, U. and Roth, S. and Polishchuk, S. and Bugnon, P. and Magrez, A. and Berger, H. and Frassetto, F. and Poletto, L. and Moreschini, L. and Moser, S. and Bostwick, A. and Rotenberg, E. and Rubio, A. and Chergui, M. and Grioni, M.}, title = {Light-Induced Renormalization of the Dirac Quasiparticles in the Nodal-Line Semimetal ZrSiSe}, journal = {Phys. Rev. Lett.}, volume = {125}, number = {7}, ISSN = {0031-9007}, DOI = {10.1103/PhysRevLett.125.076401}, url = {https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.125.076401}, year = {2020}, Dataset availability = {no dataset, suppl. data with paper (same DOI)}, type = {Journal Article} } @article{RN63, author = {Gatti, G. and Gosalbez-Martinez, D. and Tsirkin, S. S. and Fanciulli, M. and Puppin, M. and Polishchuk, S. and Moser, S. and Testa, L. and Martino, E. and Roth, S. and Bugnon, P. and Moreschini, L. and Bostwick, A. and Jozwiak, C. and Rotenberg, E. and Di Santo, G. and Petaccia, L. and Vobornik, I. and Fujii, J. and Wong, J. and Jariwala, D. and Atwater, H. A. and Ronnow, H. M. and Chergui, M. and Yazyev, O. V. and Grioni, M. and Crepaldi, A.}, title = {Radial Spin Texture of the Weyl Fermions in Chiral Tellurium}, journal = {Phys. Rev. Lett.}, volume = {125}, number = {21}, ISSN = {0031-9007}, DOI = {10.1103/PhysRevLett.125.216402}, url = {https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.125.216402}, year = {2020}, Dataset availability = {no dataset, suppl. data with paper (same DOI)}, type = {Journal Article} } @article{RN64, author = {Gaulier, Geoffrey and Dietschi, Quentin and Bhattacharyya, Swarnendu and Schmidt, Cédric and Montagnese, Matteo and Chauvet, Adrien and Hermelin, Sylvain and Chiodini, Florence and Bonacina, Luigi and Herrera, Pedro L. and Röthlisberger, Ursula and Rodriguez, Ivan and Wolf, Jean-Pierre}, title = {Ultrafast pulse shaping modulates perceived visual brightness in living animals}, journal = {Sci. Adv.}, volume = {7}, number = {18}, pages = {eabe1911}, DOI = {10.1126/sciadv.abe1911}, url = {http://advances.sciencemag.org/content/7/18/eabe1911.abstract}, year = {2021}, Dataset availability = {no dataset}, type = {Journal Article} } @article{RN65, author = {Gazzetto, M. and Artizzu, F. and Attar, S. S. and Marchio, L. and Pilia, L. and Rohwer, E. J. and Feurer, T. and Deplano, P. and Cannizzo, A.}, title = {Anti-Kasha Conformational Photoisomerization of a Heteroleptic Dithiolene Metal Complex Revealed by Ultrafast Spectroscopy}, journal = {J. Phys. Chem. A}, volume = {124}, number = {51}, pages = {10687-10693}, ISSN = {1089-5639}, DOI = {10.1021/acs.jpca.0c07794}, url = {https://pubs.acs.org/doi/abs/10.1021/acs.jpca.0c07794}, year = {2020}, Dataset availability = {no dataset, suppl. data with paper (same DOI)}, type = {Journal Article} } @article{RN66, author = {Gazzetto, M. and Sciortino, A. and Nazari, M. and Rohwer, E. and Giammona, G. and Mauro, N. and Feurer, T. and Messina, F. and Cannizzo, A.}, title = {Photocycle of Excitons in Nitrogen-Rich Carbon Nanodots: Implications for Photocatalysis and Photovoltaics}, journal = {ACS Appl. Nano Mater.}, volume = {3}, number = {7}, pages = {6925-6934}, ISSN = {2574-0970}, DOI = {10.1021/acsanm.0c01259}, url = {https://pubs.acs.org/doi/abs/10.1021/acsanm.0c01259}, year = {2020}, Dataset availability = {no dataset, suppl. data with paper (same DOI)}, type = {Journal Article} } @article{RN67, author = {Gelvez-Rueda, M. C. and Ahlawat, P. and Merten, L. and Jahanbakhshi, F. and Mladenovic, M. and Hinderhofer, A. and Dar, M. I. and Li, Y. and Ducinskas, A. and Carlsen, B. and Tress, W. and Ummadisingu, A. and Zakeeruddin, S. M. and Schreiber, F. and Hagfeldt, A. and Röthlisberger, U. and Grozema, F. C. and Milic, J. V. and Grätzel, M.}, title = {Formamidinium-Based Dion-Jacobson Layered Hybrid Perovskites: Structural Complexity and Optoelectronic Properties}, journal = {Adv. Func. Mater.}, volume = {30}, number = {38}, ISSN = {1616-301X}, DOI = {10.1002/adfm.202003428}, url = {https://doi.org/10.1002/adfm.202003428}, year = {2020}, Dataset availability = {María C Gélvez‐Rueda (https://doi.org/10.5281/zenodo.4599583)}, type = {Journal Article} } @article{RN68, author = {Géneaux, Romain and Chang, Hung-Tzu and Schwartzberg, Adam M. and Marroux, Hugo J. B.}, title = {Source noise suppression in attosecond transient absorption spectroscopy by edge-pixel referencing}, journal = {Opt. Express}, volume = {29}, number = {2}, pages = {951-960}, DOI = {10.1364/OE.412117}, url = {http://www.opticsexpress.org/abstract.cfm?URI=oe-29-2-951}, year = {2021}, Dataset availability = {no dataset}, type = {Journal Article} } @article{RN69, author = {Golubev, Nikolay V. and Begušić, Tomislav and Vaníček, Jiří}, title = {On-the-Fly Ab Initio Semiclassical Evaluation of Electronic Coherences in Polyatomic Molecules Reveals a Simple Mechanism of Decoherence}, journal = {Phys. Rev. Lett.}, volume = {125}, number = {8}, pages = {083001}, DOI = {10.1103/PhysRevLett.125.083001}, url = {https://link.aps.org/doi/10.1103/PhysRevLett.125.083001}, year = {2020}, Dataset availability = {no dataset, theory paper}, type = {Journal Article} } @article{RN70, author = {Hamm, Peter}, title = {Velocity echoes in water}, journal = {J. Chem. Phys.}, volume = {151}, number = {5}, pages = {054505}, ISSN = {0021-9606}, DOI = {10.1063/1.5112163}, url = {https://doi.org/10.1063/1.5112163}, year = {2019}, Dataset availability = {Peter Hamm https://zenodo.org/record/5012605#.YNHTvOfRZ3g}, type = {Journal Article} } @article{RN71, author = {Hamm, Peter}, title = {Transient 2D IR spectroscopy from micro- to milliseconds}, journal = {J. Chem. Phys.}, volume = {154}, number = {10}, pages = {104201}, ISSN = {0021-9606}, DOI = {10.1063/5.0045294}, url = {https://doi.org/10.1063/5.0045294}, year = {2021}, Dataset availability = {Peter Hamm (http://doi.org/10.5281/zenodo.4557375)}, type = {Journal Article} } @article{RN72, author = {Hartmann, N. and Bhattacharyya, S. and Schläpfer, F. and Volkov, M. and Schumacher, Z. and Lucchini, M. and Gallmann, L. and Röthlisberger, U. and Keller, U.}, title = {Ultrafast nuclear dynamics of the acetylene cation C2H2+ and its impact on the infrared probe pulse induced C-H bond breaking efficiency}, journal = {Phys. Chem. Chem. Phys.}, volume = {21}, number = {33}, pages = {18380-18385}, ISSN = {1463-9076}, DOI = {10.1039/c9cp03138c}, url = {https://doi.org/10.1039/C9CP03138C}, year = {2019}, Dataset availability = {Dataset title: same as publication Dataset persistent identifier: https://doi.org/10.3929/ethz-b-000400503 NCCR projects involved: Keller Responsible person: N. Hartmann URL: https://doi.org/10.3929/ethz-b-000400503}, type = {Journal Article} } @article{RN73, author = {Heider, R. and Wagner, M. S. and Hartmann, N. and Ilchen, M. and Buck, J. and Hartmann, G. and Shirvanyan, V. and Lindahl, A. O. and Grunert, J. and Krzywinski, J. and Liu, J. and Ossiander, M. and Lutman, A. A. and Maxwell, T. and Miahnahri, A. A. and Moeller, S. P. and Planas, M. and Robinson, J. and Viefhaus, J. and Feurer, T. and Kienberger, R. and Coffee, R. N. and Helml, W.}, title = {Megahertz-compatible angular streaking with few-femtosecond resolution at x-ray free-electron lasers}, journal = {Phys. Rev. A}, volume = {100}, number = {5}, pages = {053420}, ISSN = {2469-9926}, DOI = {10.1103/PhysRevA.100.053420}, url = {https://doi.org/10.1103/PhysRevA.100.053420}, year = {2019}, type = {Journal Article} } @article{RN74, author = {Hofmann, C. and Landsman, A. S. and Keller, U.}, title = {Attoclock revisited on electron tunnelling time}, journal = {J. Modern Opt.}, volume = {66}, number = {10}, pages = {1052-1070}, ISSN = {0950-0340}, DOI = {10.1080/09500340.2019.1596325}, url = {https://doi.org/10.1080/09500340.2019.1596325}, year = {2019}, Dataset availability = {Dataset title: same as publication Dataset persistent identifier: https://doi.org/10.3929/ethz-b-000406879 NCCR projects involved: Keller Responsible person: Keller URL: https://doi.org/10.3929/ethz-b-000406879}, type = {Journal Article} } @article{RN75, author = {Hong, Li and Milić, Jovana V. and Ahlawat, Paramvir and Mladenović, Marko and Kubicki, Dominik J. and Jahanabkhshi, Farzaneh and Ren, Dan and Gélvez-Rueda, María C. and Ruiz-Preciado, Marco A. and Ummadisingu, Amita and Liu, Yuhang and Tian, Chengbo and Pan, Linfeng and Zakeeruddin, Shaik M. and Hagfeldt, Anders and Grozema, Ferdinand C. and Röthlisberger, Ursula and Emsley, Lyndon and Han, Hongwei and Grätzel, Michael}, title = {Guanine-Stabilized Formamidinium Lead Iodide Perovskites}, journal = {Angew. Chem. Int. Ed.}, volume = {59}, number = {12}, pages = {4691-4697}, ISSN = {1433-7851}, DOI = {https://doi.org/10.1002/anie.201912051}, url = {https://doi.org/10.1002/anie.201912051}, year = {2020}, Dataset availability = {no dataset}, type = {Journal Article} } @article{RN76, author = {Hong, L. and Milic, J. V. and Ahlawat, P. and Mladenovic, M. and Kubicki, D. J. and Jahanabkhshi, F. and Ren, D. and Gelvez-Rueda, M. C. and Ruiz-Preciado, M. A. and Ummadisingu, A. and Liu, Y. H. and Tian, C. B. and Pan, L. F. and Zakeeruddin, S. M. and Hagfeldt, A. and Grozema, F. C. and Röthlisberger, U. and Emsley, L. and Han, H. W. and Grätzel, M.}, title = {Guanine-Stabilized Formamidinium Lead Iodide Perovskites}, journal = {Angew. Chem. Int. Ed.}, volume = {59}, number = {12}, pages = {4691-4697}, ISSN = {1433-7851}, DOI = {10.1002/anie.201912051}, url = {https://doi.org/10.1002/anie.201912051}, year = {2020}, Dataset availability = {no dataset}, type = {Journal Article} } @article{RN77, author = {Hope, Michael A. and Nakamura, Toru and Ahlawat, Paramvir and Mishra, Aditya and Cordova, Manuel and Jahanbakhshi, Farzaneh and Mladenović, Marko and Runjhun, Rashmi and Merten, Lena and Hinderhofer, Alexander and Carlsen, Brian I. and Kubicki, Dominik J. and Gershoni-Poranne, Renana and Schneeberger, Thomas and Carbone, Loï C. and Liu, Yuhang and Zakeeruddin, Shaik M. and Lewinski, Janusz and Hagfeldt, Anders and Schreiber, Frank and Röthlisberger, Ursula and Grätzel, Michael and Milić, Jovana V. and Emsley, Lyndon}, title = {Nanoscale Phase Segregation in Supramolecular π-Templating for Hybrid Perovskite Photovoltaics from NMR Crystallography}, journal = {J. Am. Chem Soc.}, volume = {143}, number = {3}, pages = {1529-1538}, ISSN = {0002-7863}, DOI = {10.1021/jacs.0c11563}, url = {https://doi.org/10.1021/jacs.0c11563}, year = {2021}, Dataset availability = {Lyndon Emsley (https://doi.org/10.5281/zenodo.4427776)}, type = {Journal Article} } @article{RN78, author = {Houver, S. and Huber, L. and Savoini, M. and Abreu, E. and Johnson, S. L.}, title = {2D THz spectroscopic investigation of ballistic conduction-band electron dynamics in InSb}, journal = {Opt. Express}, volume = {27}, number = {8}, pages = {10854-10865}, ISSN = {1094-4087}, DOI = {10.1364/oe.27.010854}, url = {https://doi.org/10.1364/OE.27.010854}, year = {2019}, Dataset availability = {Steve Johnson, Larissa Boie (https://www.research-collection.ethz.ch/handle/20.500.11850/492143) 10.3929/ethz-b-000492143}, type = {Journal Article} } @article{RN79, author = {Huang, P. and Schonenberger, T. and Cantoni, M. and Heinen, L. and Magrez, A. and Rosch, A. and Carbone, F. and Ronnow, H. M.}, title = {Melting of a skyrmion lattice to a skyrmion liquid via a hexatic phase}, journal = {Nature Nanotechnol.}, volume = {15}, number = {9}, pages = {761-+}, ISSN = {1748-3387}, DOI = {10.1038/s41565-020-0716-3}, url = {https://www.nature.com/articles/s41565-020-0716-3}, year = {2020}, Dataset availability = {datasets available on request (large size, very diverse)}, type = {Journal Article} } @article{RN80, author = {Ingold, G. and Abela, R. and Arrell, C. and Beaud, P. and Bohler, P. and Cammarata, M. and Deng, Y. P. and Erny, C. and Esposito, V. and Flechsig, U. and Follath, R. and Hauri, C. and Johnson, S. and Juranic, P. and Mancini, G. F. and Mankowsky, R. and Mozzanica, A. and Oggenfuss, R. A. and Patterson, B. D. and Patthey, L. and Pedrini, B. and Rittmann, J. and Sala, L. and Savoini, M. and Svetina, C. and Zamofing, T. and Zerdane, S. and Lemke, H. T.}, title = {Experimental station Bernina at SwissFEL: condensed matter physics on femtosecond time scales investigated by X-ray diffraction and spectroscopic methods}, journal = {J. Synchrotron Rad.}, volume = {26}, pages = {874-886}, ISSN = {0909-0495}, DOI = {10.1107/s160057751900331x}, url = {https://doi.org/10.1107/S160057751900331X}, year = {2019}, Dataset availability = {Dataset pending}, type = {Journal Article} } @article{RN81, author = {Jahanbakhshi, F. and Mladenovic, M. and Kneschaurek, E. and Merten, L. and Gelvez-Rueda, M. C. and Ahlawat, P. and Li, Y. and Ducinskas, A. and Hinderhofer, A. and Dar, M. I. and Tress, W. and Carlsen, B. and Ummadisingu, A. and Zakeeruddin, S. M. and Hagfeldt, A. and Schreiber, F. and Grozema, F. C. and Röthlisberger, U. and Milic, J. V. and Grätzel, M.}, title = {Unravelling the structural complexity and photophysical properties of adamantyl-based layered hybrid perovskites}, journal = {J. Mater. Chem. A}, volume = {8}, number = {34}, pages = {17732-17740}, ISSN = {2050-7488}, DOI = {10.1039/d0ta05022a}, url = {https://pubs.rsc.org/en/content/articlelanding/2020/ta/d0ta05022a}, year = {2020}, Dataset availability = {Data: https://doi.org/10.5281/zenodo.4596449}, type = {Journal Article} } @article{RN82, author = {Jelovina, D. and Scrinzi, A. and Wörner, H. J. and Schild, A.}, title = {Nonlocal mechanisms of attosecond interferometry in three-dimensional systems}, journal = {J. Phys. Photon.}, volume = {3}, number = {1}, ISSN = {2515-7647}, DOI = {10.1088/2515-7647/abcd84}, url = {https://iopscience.iop.org/article/10.1088/2515-7647/abcd84}, year = {2021}, Dataset availability = {no dataset}, type = {Journal Article} } @article{RN83, author = {Jeong, Jaeki and Kim, Minjin and Seo, Jongdeuk and Lu, Haizhou and Ahlawat, Paramvir and Mishra, Aditya and Yang, Yingguo and Hope, Michael A. and Eickemeyer, Felix T. and Kim, Maengsuk and Yoon, Yung Jin and Choi, In Woo and Darwich, Barbara Primera and Choi, Seung Ju and Jo, Yimhyun and Lee, Jun Hee and Walker, Bright and Zakeeruddin, Shaik M. and Emsley, Lyndon and Rothlisberger, Ursula and Hagfeldt, Anders and Kim, Dong Suk and Grätzel, Michael and Kim, Jin Young}, title = {Pseudo-halide anion engineering for α-FAPbI3 perovskite solar cells}, journal = {Nature}, ISSN = {1476-4687}, DOI = {10.1038/s41586-021-03406-5}, url = {https://doi.org/10.1038/s41586-021-03406-5}, year = {2021}, Dataset availability = {no dataset}, type = {Journal Article} } @article{RN84, author = {Jordan, Inga and Huppert, Martin and Rattenbacher, Dominik and Peper, Michael and Jelovina, Denis and Perry, Conaill and von Conta, Aaron and Schild, Axel and Wörner, Hans Jakob}, title = {Attosecond spectroscopy of liquid water}, journal = {Science}, volume = {369}, number = {6506}, pages = {974}, DOI = {10.1126/science.abb0979}, url = {http://science.sciencemag.org/content/369/6506/974.abstract}, year = {2020}, type = {Journal Article} } @article{RN85, author = {Karandashev, K. and Vaníček, Jiří}, title = {Accelerating equilibrium isotope effect calculations. II. Stochastic implementation of direct estimators}, journal = {J. Chem. Phys.}, volume = {151}, number = {13}, pages = {134116}, ISSN = {0021-9606}, DOI = {10.1063/1.5124995}, url = { https://doi.org/10.1063/1.5124995}, year = {2019}, type = {Journal Article} } @article{RN86, author = {Karvounis, A. and Timpu, F. and Vogler-Neuling, V. V. and Savo, R. and Grange, R.}, title = {Barium Titanate Nanostructures and Thin Films for Photonics}, journal = {Adv. Opt. Mater.}, volume = {8}, number = {24}, ISSN = {2195-1071}, DOI = {10.1002/adom.202001249}, url = {https://onlinelibrary.wiley.com/doi/full/10.1002/adom.202001249}, year = {2020}, Dataset availability = {Rachel Grange (no dataset)}, type = {Journal Article} } @article{RN87, author = {Käser, S. and Koner, D. and Christensen, A. S. and von Lilienfeld, O. A. and Meuwly, M.}, title = {Machine Learning Models of Vibrating H2CO: Comparing Reproducing Kernels, FCHL, and PhysNet}, journal = {J. Phys. Chem. A}, volume = {124}, number = {42}, pages = {8853-8865}, ISSN = {1089-5639}, DOI = {10.1021/acs.jpca.0c05979}, url = {https://pubs.acs.org/doi/abs/10.1021/acs.jpca.0c05979}, year = {2020}, type = {Journal Article} } @article{RN88, author = {Käser, S. and Unke, O. T. and Meuwly, M.}, title = {Reactive Dynamics and Spectroscopy of Hydrogen Transfer from Neural Network-Based Reactive Potential Energy Surfaces}, journal = {New J. Phys.}, pages = {1911.09475 }, DOI = {https://doi.org/10.1088/1367-2630/ab81b5}, url = {https://iopscience.iop.org/article/10.1088/1367-2630/ab81b5}, year = {2020}, type = {Journal Article} } @article{RN89, author = {Käser, S. and Unke, O. T. and Meuwly, M.}, title = {Isomerization and decomposition reactions of acetaldehyde relevant to atmospheric processes from dynamics simulations on neural network-based potential energy surfaces}, journal = {J. Chem. Phys.}, volume = {152}, number = {21}, ISSN = {0021-9606}, DOI = {10.1063/5.0008223}, url = {https://aip.scitation.org/doi/10.1063/5.0008223}, year = {2020}, type = {Journal Article} } @article{RN90, author = {Kilin, Vasyl and Campargue, Gabriel and Fureraj, Ina and Sakong, Sim and Sabri, Tarek and Riporto, Florian and Vieren, Alice and Mugnier, Yannick and Mas, Christophe and Staedler, Davide and Collins, John Michael and Bonacina, Luigi and Vogel, Alfred and Capobianco, John A. and Wolf, Jean-Pierre}, title = {Wavelength-Selective Nonlinear Imaging and Photo-Induced Cell Damage by Dielectric Harmonic Nanoparticles}, journal = {ACS Nano}, volume = {14}, number = {4}, pages = {4087-4095}, ISSN = {1936-0851}, DOI = {10.1021/acsnano.9b08813}, url = {https://doi.org/10.1021/acsnano.9b08813}, year = {2020}, type = {Journal Article} } @article{RN91, author = {Kinschel, Dominik and Bacellar, Camila and Cannelli, Oliviero and Sorokin, Boris and Katayama, Tetsuo and Mancini, Giulia F. and Rouxel, Jérémy R. and Obara, Yuki and Nishitani, Junichi and Ito, Hironori and Ito, Terumasa and Kurahashi, Naoya and Higashimura, Chika and Kudo, Shotaro and Keane, Theo and Lima, Frederico A. and Gawelda, Wojciech and Zalden, Peter and Schulz, Sebastian and Budarz, James M. and Khakhulin, Dmitry and Galler, Andreas and Bressler, Christian and Milne, Christopher J. and Penfold, Thomas and Yabashi, Makina and Suzuki, Toshinori and Misawa, Kazuhiko and Chergui, Majed}, title = {Femtosecond X-ray emission study of the spin cross-over dynamics in haem proteins}, journal = {Nature Commun.}, volume = {11}, number = {1}, pages = {4145}, ISSN = {2041-1723}, DOI = {10.1038/s41467-020-17923-w}, url = {https://doi.org/10.1038/s41467-020-17923-w}, year = {2020}, type = {Journal Article} } @article{RN92, author = {Kliuiev, Pavel and Zamborlini, Giovanni and Jugovac, Matteo and Gurdal, Yeliz and Arx, Karin von and Waltar, Kay and Schnidrig, Stephan and Alberto, Roger and Iannuzzi, Marcella and Feyer, Vitaliy and Hengsberger, Matthias and Osterwalder, Jürg and Castiglioni, Luca}, title = {Combined orbital tomography study of multi-configurational molecular adsorbate systems}, journal = {Nature Commun.}, volume = {10}, number = {1}, pages = {5255}, ISSN = {2041-1723}, DOI = {10.1038/s41467-019-13254-7}, url = {https://doi.org/10.1038/s41467-019-13254-7}, year = {2019}, Dataset availability = {10.5281/zenodo.5031843 Matthias Hengsberger / Jürg Osterwalder https://zenodo.org/record/5031843}, type = {Journal Article} } @article{RN93, author = {Knop, Jim-Marcel and Mukherjee, Sanjib K. and Oliva, Rosario and Möbitz, Simone and Winter, Roland}, title = {Remodeling of the Conformational Dynamics of Noncanonical DNA Structures by Monomeric and Aggregated α-Synuclein}, journal = {J. Am. Chem Soc.}, volume = {142}, number = {43}, pages = {18299-18303}, ISSN = {0002-7863}, DOI = {10.1021/jacs.0c07192}, url = {https://doi.org/10.1021/jacs.0c07192}, year = {2020}, type = {Journal Article} } @article{RN94, author = {Koner, D. and Bemish, R. J. and Meuwly, M.}, title = {Dynamics on Multiple Potential Energy Surfaces: Quantitative Studies of Elementary Processes Relevant to Hypersonics}, journal = {J. Phys. Chem. A}, volume = {124}, number = {31}, pages = {6255-6269}, ISSN = {1089-5639}, DOI = {10.1021/acs.jpca.0c01870}, url = {https://pubs.acs.org/doi/10.1021/acs.jpca.0c01870}, year = {2020}, type = {Journal Article} } @article{RN95, author = {Koner, D. and Meuwly, M.}, title = {Permutationally Invariant, Reproducing Kernel-Based Potential Energy Surfaces for Polyatomic Molecules: From Formaldehyde to Acetone}, journal = {J. Chem. Theory Comput.}, volume = {16}, number = {9}, pages = {5474-5484}, ISSN = {1549-9618}, DOI = {10.1021/acs.jctc.0c00535}, url = {https://pubs.acs.org/doi/abs/10.1021/acs.jctc.0c00535}, year = {2020}, type = {Journal Article} } @article{RN96, author = {Koner, D. and Salehi, S. M. and Mondal, P. and Meuwly, M.}, title = {Non-conventional force fields for applications in spectroscopy and chemical reaction dynamics}, journal = {J. Chem. Phys.}, volume = {153}, number = {1}, ISSN = {0021-9606}, DOI = {10.1063/5.0009628}, url = {https://aip.scitation.org/doi/10.1063/5.0009628}, year = {2020}, type = {Journal Article} } @article{RN97, author = {Koner, D. and Schwilk, M. and Patra, S. and Bieske, E. J. and Meuwly, M.}, title = {N-3(+): Full-dimensional ground state potential energy surface, vibrational energy levels, and dynamics}, journal = {J. Chem. Phys.}, volume = {153}, number = {4}, ISSN = {0021-9606}, DOI = {10.1063/5.0011957}, url = {https://aip.scitation.org/doi/abs/10.1063/5.0011957}, year = {2020}, type = {Journal Article} } @article{RN98, author = {Koner, Debasish and Unke, Oliver T. and Boe, Kyle and Bemish, Raymond J. and Meuwly, Markus}, title = {Exhaustive state-to-state cross sections for reactive molecular collisions from importance sampling simulation and a neural network representation}, journal = {J. Chem. Phys.}, volume = {150}, number = {21}, pages = {211101}, ISSN = {0021-9606}, DOI = {10.1063/1.5097385}, url = {https://doi.org/10.1063/1.5097385}, year = {2019}, Dataset availability = {Markus Meuwly (https://github.com/MeuwlyGroup/NNcross)}, type = {Journal Article} } @article{RN99, author = {Koner, D. and Veliz, J. C. S. and Bemish, R. J. and Meuwly, M.}, title = {Accurate reproducing kernel-based potential energy surfaces for the triplet ground states of N2O and dynamics for the N plus NO <-> O + N(2)and N-2+ O -> 2N+O reactions}, journal = {Phys. Chem. Chem. Phys.}, volume = {22}, number = {33}, pages = {18488-18498}, ISSN = {1463-9076}, DOI = {10.1039/d0cp02509g}, url = {https://pubs.rsc.org/en/content/articlelanding/2020/cp/d0cp02509g}, year = {2020}, type = {Journal Article} } @article{RN100, author = {Koner, D. and Veliz, J. C. S. and van der Avoird, A. and Meuwly, M.}, title = {Near dissociation states for H-2(+)-He on MRCI and FCI potential energy surfaces}, journal = {Phys. Chem. Chem. Phys.}, volume = {21}, number = {45}, pages = {24976-24983}, ISSN = {1463-9076}, DOI = {10.1039/c9cp05259c}, url = {https://doi.org/10.1039/C9CP05259C}, year = {2019}, Dataset availability = {Markus Meuwly (https://github.com/MeuwlyGroup/H2pHe)}, type = {Journal Article} } @article{RN101, author = {Kozina, M. and Fechner, M. and Marsik, P. and van Driel, T. and Glownia, J. M. and Bernhard, C. and Radovic, M. and Zhu, D. and Bonetti, S. and Staub, U. and Hoffmann, M. C.}, title = {Terahertz-driven phonon upconversion in SrTiO3}, journal = {Nature Phys.}, volume = {15}, pages = {387–392}, ISSN = {1745-2481}, DOI = {10.1038/s41567-018-0408-1}, url = {https://doi.org/10.1038/s41567-018-0408-1}, year = {2019}, type = {Journal Article} } @article{RN102, author = {Krauspe, P. and Banerji, N. and Rehault, J.}, title = {Effective detection of weak terahertz pulses in electro-optic sampling at kilohertz repetition rate}, journal = {JOSA B - Opt. Phys.}, volume = {37}, number = {1}, pages = {127-132}, ISSN = {0740-3224}, DOI = {10.1364/josab.37.000127}, url = {https://doi.org/10.1364/JOSAB.37.000127}, year = {2020}, Dataset availability = {Data related to manuscript [‘Effective detection of weak terahertz pulses in electro-optic sampling at kilohertz repetition rate, Journal of the Optical Society of America B (2019) 10.7892/boris.141428" Natalie Banerji https://boris.unibe.ch/id/eprint/141428}, type = {Journal Article} } @article{RN103, author = {Kretz, Patrick and Waltar, Kay and Geng, Yan and Metzger, Christian and Graus, Martin and Schöll, Achim and Reinert, Friedrich and Liu, Shi-Xia and Decurtins, Silvio and Hengsberger, Matthias and Osterwalder, Jürg and Castiglioni, Luca}, title = {Adsorption geometry and electronic structure of a charge-transfer-complex: TTF-PYZ2 on Ag(110)}, journal = {New J. Phys.}, volume = {23}, number = {1}, pages = {013002}, ISSN = {1367-2630}, DOI = {10.1088/1367-2630/abcace}, url = {http://dx.doi.org/10.1088/1367-2630/abcace}, year = {2021}, Dataset availability = {no dataset submitted: data available on request}, type = {Journal Article} } @article{RN104, author = {Kruger, C. and Fuchs, J. and Cattaneo, L. and Keller, U.}, title = {Attosecond resolution from free running interferometric measurements}, journal = {Opt. Express}, volume = {28}, number = {9}, pages = {12862-12871}, ISSN = {1094-4087}, DOI = {10.1364/oe.391791}, url = {https://www.osapublishing.org/oe/fulltext.cfm?uri=oe-28-9-12862&id=430173}, year = {2020}, type = {Journal Article} } @article{RN105, author = {Kubli, Martin and Savoini, Matteo and Abreu, Elsa and Burganov, Bulat and Lantz, Gabriel and Huber, Lucas and Neugebauer, J. Martin and Boie, Larissa and Esposito, Vincent and Bothschafter, M. Elisabeth and Parchenko, Sergii and Grübel, Sebastian and Porer, Michael and Rittmann, Jochen and Beaud, Paul and Staub, Urs and Yabashi, Makina and Tanaka, Yoshikazu and Katayama, Tetsuo and Togashi, Tadashi and Kohutych, A. Anton and Vysochanskii, M. Yulian and Johnson, L. Steven}, title = {Kinetics of a Phonon-Mediated Laser-Driven Structural Phase Transition in Sn2P2Se6}, journal = {Appl. Sci.}, volume = {9}, number = {3}, pages = {525}, ISSN = {2076-3417}, DOI = {10.3390/app9030525}, url = {https://doi.org/10.3390/app9030525}, year = {2019}, type = {Journal Article} } @article{RN106, author = {Latychevskaia, T. and Son, S. K. and Yang, Y. P. and Chancellor, D. and Brown, M. and Ozdemir, S. and Madan, I. and Berruto, G. and Carbone, F. and Mishchenko, A. and Novoselov, K. S.}, title = {Stacking transition in rhombohedral graphite}, journal = {Frontiers Phys.}, volume = {14}, number = {1}, pages = {13608}, ISSN = {2095-0462}, DOI = {10.1007/s11467-018-0867-y}, url = {https://link.springer.com/article/10.1007/s11467-018-0867-y}, year = {2019}, type = {Journal Article} } @article{RN107, author = {Longetti, L. and Randulová, M. and Ojeda, J. and Mewes, L. and Miseikis, L. and Grilj, J. and Sanchez-Gonzalez, A. and Witting, T. and Siegel, T. and Diveki, Z. and van Mourik, F. and Chapman, R. and Cacho, C. and Yap, S. and Tisch, J. W. G. and Springate, E. and Marangos, J. P. and Slavíček, P. and Arrell, C. A. and Chergui, M.}, title = {Photoemission from non-polar aromatic molecules in the gas and liquid phase}, journal = {Phys. Chem. Chem. Phys.}, volume = {22}, number = {7}, pages = {3965-3974}, ISSN = {1463-9076}, DOI = {10.1039/C9CP06799J}, url = {http://dx.doi.org/10.1039/C9CP06799J}, year = {2020}, type = {Journal Article} } @article{RN108, author = {Lu, Haizhou and Liu, Yuhang and Ahlawat, Paramvir and Mishra, Aditya and Tress, Wolfgang R. and Eickemeyer, Felix T. and Yang, Yingguo and Fu, Fan and Wang, Zaiwei and Avalos, Claudia E. and Carlsen, Brian I. and Agarwalla, Anand and Zhang, Xin and Li, Xiaoguo and Zhan, Yiqiang and Zakeeruddin, Shaik M. and Emsley, Lyndon and Röthlisberger, Ursula and Zheng, Lirong and Hagfeldt, Anders and Grätzel, Michael}, title = {Vapor-assisted deposition of highly efficient, stable black-phase FAPbI3 perovskite solar cells}, journal = {Science}, volume = {370}, number = {6512}, pages = {eabb8985}, DOI = {10.1126/science.abb8985}, url = {http://science.sciencemag.org/content/370/6512/eabb8985.abstract}, year = {2020}, type = {Journal Article} } @article{RN109, author = {Lucchini, M. and Sato, S. A. and Schlaepfer, F. and Yabana, K. and Gallmann, L. and Rubio, A. and Keller, U.}, title = {Attosecond timing of the dynamical Franz–Keldysh effect}, journal = {J. Phys. Photon.}, volume = {2}, number = {2}, pages = {025001}, ISSN = {2515-7647}, DOI = {10.1088/2515-7647/ab70cb}, url = {http://dx.doi.org/10.1088/2515-7647/ab70cb}, year = {2020}, Dataset availability = {DOI: https://doi.org/10.3929/ethz-b-000490760 NCCR MUST project: Femtosecond and attosecond VUV-XUV spectroscopy – Prof. Ursula Keller Responsible person: Matteo Lucchini URL: https://www.research-collection.ethz.ch/handle/20.500.11850/490760}, type = {Journal Article} } @article{RN110, author = {Madan, I. and Vanacore, G. M. and Gargiulo, S. and LaGrange, T. and Carbone, F.}, title = {The quantum future of microscopy: Wave function engineering of electrons, ions, and nuclei}, journal = {Appl. Phys. Lett.}, volume = {116}, number = {23}, ISSN = {0003-6951}, DOI = {10.1063/1.5143008}, url = {https://aip.scitation.org/doi/10.1063/1.5143008}, year = {2020}, type = {Journal Article} } @article{RN111, author = {Mannouch, J. R. and Richardson, J. O.}, title = {A partially linearized spin-mapping approach for nonadiabatic dynamics. I. Derivation of the theory}, journal = {J. Chem. Phys.}, volume = {153}, number = {19}, ISSN = {0021-9606}, DOI = {10.1063/5.0031168}, url = {https://aip.scitation.org/doi/10.1063/5.0031168}, year = {2020}, type = {Journal Article} } @article{RN112, author = {Mannouch, Jonathan R. and Richardson, Jeremy O.}, title = {A partially linearized spin-mapping approach for nonadiabatic dynamics. II. Analysis and comparison with related approaches}, journal = {J. Chem. Phys.}, volume = {153}, number = {19}, pages = {194110}, ISSN = {0021-9606}, DOI = {10.1063/5.0031173}, url = {https://doi.org/10.1063/5.0031173}, year = {2020}, type = {Journal Article} } @article{RN113, author = {Mardegan, J. R. L. and Christensen, D. V. and Chen, Y. Z. and Parchenko, S. and Avula, S. R. V. and Ortiz-Hernandez, N. and Decker, M. and Piamonteze, C. and Pryds, N. and Staub, U.}, title = {Magnetic and electronic properties at the gamma-Al2O3/SrTiO3 interface}, journal = {Phys. Rev. B}, volume = {99}, number = {13}, pages = {134423}, ISSN = {2469-9950}, DOI = {10.1103/PhysRevB.99.134423}, url = {https://doi.org/10.1103/PhysRevB.99.134423}, year = {2019}, type = {Journal Article} } @article{RN114, author = {Mariette, C. and Lorenc, M. and Cailleau, H. and Collet, E. and Guérin, L. and Volte, A. and Trzop, E. and Bertoni, R. and Dong, X. and Lépine, B. and Hernandez, O. and Janod, E. and Cario, L. and Ta Phuoc, V. and Ohkoshi, S. and Tokoro, H. and Patthey, L. and Babic, A. and Usov, I. and Ozerov, D. and Sala, L. and Ebner, S. and Böhler, P. and Keller, A. and Oggenfuss, A. and Zmofing, T. and Redford, S. and Vetter, S. and Follath, R. and Juranic, P. and Schreiber, A. and Beaud, P. and Esposito, V. and Deng, Y. and Ingold, G. and Chergui, M. and Mancini, G. F. and Mankowsky, R. and Svetina, C. and Zerdane, S. and Mozzanica, A. and Bosak, A. and Wulff, M. and Levantino, M. and Lemke, H. and Cammarata, M.}, title = {Strain wave pathway to semiconductor-to-metal transition revealed by time-resolved X-ray powder diffraction}, journal = {Nature Commun.}, volume = {12}, number = {1}, pages = {1239}, ISSN = {2041-1723}, DOI = {10.1038/s41467-021-21316-y}, url = {https://doi.org/10.1038/s41467-021-21316-y}, year = {2021}, Dataset availability = {Marco Cammarata; Céline Mariette (https://zenodo.org/record/4337413#.YE9Qd-Yo_GI) MUST PIs: Milne/Bacellar, Beaud, Chergui, Johnson, Abela, Hauri, Patterson}, type = {Journal Article} } @article{RN115, author = {Markmann, S. and Franckie, M. and Pal, S. and Stark, D. and Beck, M. and Fiebig, M. and Scalari, G. and Faist, J.}, title = {Two-dimensional spectroscopy on a THz quantum cascade structure}, journal = {Nanophotonics}, volume = {10}, number = {1}, pages = {171-180}, ISSN = {2192-8606}, DOI = {10.1515/nanoph-2020-0369}, url = {https://www.degruyter.com/document/doi/10.1515/nanoph-2020-0369/html}, year = {2021}, Dataset availability = {Manfred Fiebig, Jerome Faist (https://doi.org/10.3929/ethz-b-000457092)}, type = {Journal Article} } @article{RN116, author = {Meuwly, Markus}, title = {Reactive molecular dynamics: From small molecules to proteins}, journal = {WIREs Comp. Mol. Sci.}, volume = {9}, number = {1}, pages = {e1386}, ISSN = {1759-0876}, DOI = {10.1002/wcms.1386}, url = {https://doi.org/10.1002/wcms.1386}, year = {2019}, type = {Journal Article} } @article{RN117, author = {Mewes, L. and Ingle, R. A. and Megow, S. and Bohnke, H. and Baranoff, E. and Temps, F. and Chergui, M.}, title = {Ultrafast Intersystem Crossing and Structural Dynamics of [Pt(ppy)(μ-tBu2pz)]2}, journal = {Inorg. Chem.}, volume = {59}, number = {20}, pages = {14643-14653}, ISSN = {0020-1669}, DOI = {10.1021/acs.inorgchem.0c00902}, url = {https://doi.org/10.1021/acs.inorgchem.0c00902}, year = {2020}, Dataset availability = {Majed Chergui (https://zenodo.org/record/4620884)}, type = {Journal Article} } @article{RN118, author = {Mewes, L. and Wang, M. and Ingle, R. A. and Borjesson, K. and Chergui, M.}, title = {Energy relaxation pathways between light-matter states revealed by coherent two-dimensional spectroscopy}, journal = {Commun. Phys.}, volume = {3}, number = {1}, ISSN = {2399-3650}, DOI = {10.1038/s42005-020-00424-z}, url = {https://www.nature.com/articles/s42005-020-00424-z}, year = {2020}, type = {Journal Article} } @article{RN119, author = {Misawa, R. and Ueda, H. and Kimura, K. and Tanaka, Y. and Kimura, T.}, title = {Chirality and magnetic quadrupole order in Pb(TiO)Cu4(PO4)4 probed by interference scattering in resonant x-ray diffraction}, journal = {Phys. Rev. B}, volume = {103}, number = {17}, pages = {174409}, DOI = {10.1103/PhysRevB.103.174409}, url = {https://link.aps.org/doi/10.1103/PhysRevB.103.174409}, year = {2021}, Dataset availability = {no dataset}, type = {Journal Article} } @article{RN120, author = {Monoszlai, B. and Nugraha, P. S. and Toth, G. and Polonyi, G. and Palfalvi, L. and Nasi, L. and Ollmann, Z. and Rohwer, E. J. and Gaumann, G. and Hebling, J. and Feurer, T. and Fulop, J. A.}, title = {Measurement of four-photon absorption in GaP and ZnTe semiconductors}, journal = {Opt. Express}, volume = {28}, number = {8}, pages = {12352-12362}, ISSN = {1094-4087}, DOI = {10.1364/oe.382388}, url = {https://www.osapublishing.org/oe/fulltext.cfm?uri=oe-28-8-12352&id=429917}, year = {2020}, type = {Journal Article} } @article{RN121, author = {Nazari, M. and Bosch, C. D. and Rondi, A. and Frances-Monerris, A. and Marazzi, M. and Lognon, E. and Gazzetto, M. and Langenegger, S. M. and Häner, R. and Feurer, T. and Monari, A. and Cannizzo, A.}, title = {Ultrafast dynamics in polycyclic aromatic hydrocarbons: the key case of conical intersections at higher excited states and their role in the photophysics of phenanthrene monomer}, journal = {Phys. Chem. Chem. Phys.}, volume = {21}, number = {31}, pages = {16981-16988}, ISSN = {1463-9076}, DOI = {10.1039/c9cp03147b}, url = {https://doi.org/10.1039/C9CP03147B}, year = {2019}, type = {Journal Article} } @article{RN122, author = {Neugebauer, M. J. and Huber, T. and Savoini, M. and Abreu, E. and Esposito, V. and Kubli, M. and Rettig, L. and Bothschafter, E. and Grubel, S. and Kubacka, T. and Rittmann, J. and Ingold, G. and Beaud, P. and Dominko, D. and Demsar, J. and Johnson, S. L.}, title = {Optical control of vibrational coherence triggered by an ultrafast phase transition}, journal = {Phys. Rev. B}, volume = {99}, number = {22}, pages = {220302}, ISSN = {2469-9950}, DOI = {10.1103/PhysRevB.99.220302}, url = {https://doi.org/10.1103/PhysRevB.99.220302}, year = {2019}, Dataset availability = {Steve Johnson, Larissa Boie (https://www.research-collection.ethz.ch/handle/20.500.11850/467566) 10.3929/ethz-b-000467566}, type = {Journal Article} } @article{RN123, author = {Neugebauer, Martin J. and Juraschek, Dominik M. and Savoini, Matteo and Engeler, Pascal and Boie, Larissa and Abreu, Elsa and Spaldin, Nicola A. and Johnson, Steven L.}, title = {Comparison of coherent phonon generation by electronic and ionic Raman scattering in LaAlO3}, journal = {Phys. Rev. Res.}, volume = {3}, number = {1}, pages = {013126}, DOI = {10.1103/PhysRevResearch.3.013126}, url = {https://link.aps.org/doi/10.1103/PhysRevResearch.3.013126}, year = {2021}, Dataset availability = {Martin Neugebauer, Steve Johnson (https://doi.org/10.3929/ethz-b-000469178)}, type = {Journal Article} } @article{RN124, author = {Oliva, Rosario and Jahmidi-Azizi, Nisrine and Mukherjee, Sanjib and Winter, Roland}, title = {Harnessing Pressure Modulation for Exploring Ligand Binding Reactions in Cosolvent Solutions}, journal = {J. Phys. Chem. B}, volume = {125}, number = {2}, pages = {539-546}, ISSN = {1520-6106}, DOI = {10.1021/acs.jpcb.0c10212}, url = {https://doi.org/10.1021/acs.jpcb.0c10212}, year = {2021}, type = {Journal Article} } @article{RN125, author = {Olsen, J. M. H. and Bolnykh, V. and Meloni, S. and Ippoliti, E. and Bircher, M. P. and Carloni, P. and Röthlisberger, U.}, title = {MiMiC: A Novel Framework for Multiscale Modeling in Computational Chemistry}, journal = {J. Chem. Theory Comput.}, volume = {15}, number = {6}, pages = {3810-3823}, ISSN = {1549-9618}, DOI = {10.1021/acs.jctc.9b00093}, url = {https://doi.org/10.1021/acs.jctc.9b00093}, year = {2019}, type = {Journal Article} } @article{RN126, author = {Oppermann, Malte and Bauer, Benjamin and Rossi, Thomas and Zinna, Francesco and Helbing, Jan and Lacour, Jérôme and Chergui, Majed}, title = {Ultrafast broadband circular dichroism in the deep ultraviolet}, journal = {Optica}, volume = {6}, number = {1}, pages = {56-60}, DOI = {10.1364/OPTICA.6.000056}, url = {http://www.osapublishing.org/optica/abstract.cfm?URI=optica-6-1-56}, year = {2019}, type = {Journal Article} } @article{RN127, author = {Oppermann, M. and Spekowius, J. and Bauer, B. and Pfister, R. and Chergui, M. and Helbing, J.}, title = {Broad-Band Ultraviolet CD Spectroscopy of Ultrafast Peptide Backbone Conformational Dynamics}, journal = {J. Phys. Chem. Lett.}, volume = {10}, number = {11}, pages = {2700-2705}, ISSN = {1948-7185}, DOI = {10.1021/acs.jpclett.9b01253}, url = {https://doi.org/10.1021/acs.jpclett.9b01253}, year = {2019}, type = {Journal Article} } @article{RN128, author = {Ortiz Hernández, N. and Parchenko, S. and Mardegan, J. R. L. and Porer, M. and Schierle, E. and Weschke, E. and Ramakrishnan, M. and Radovic, M. and Heuver, J. A. and Noheda, B. and Daffé, N. and Dreiser, J. and Ueda, H. and Staub, U.}, title = {Magnetic field dependent cycloidal rotation in pristine and Ge-doped CoCr2O4}, journal = {Phys. Rev. B}, volume = {103}, number = {8}, pages = {085123}, DOI = {10.1103/PhysRevB.103.085123}, url = {https://link.aps.org/doi/10.1103/PhysRevB.103.085123}, year = {2021}, Dataset availability = {Urs Staub (10.16907/c15020ae-6c45-41ba-9131-d0ff87bd7010), not public yet}, type = {Journal Article} } @article{RN129, author = {Palmieri, Tania and Baldini, Edoardo and Steinhoff, Alexander and Akrap, Ana and Kollár, Márton and Horváth, Endre and Forró, László and Jahnke, Frank and Chergui, Majed}, title = {Mahan excitons in room-temperature methylammonium lead bromide perovskites}, journal = {Nature Commun.}, volume = {11}, number = {1}, pages = {850}, ISSN = {2041-1723}, DOI = {10.1038/s41467-020-14683-5}, url = {https://doi.org/10.1038/s41467-020-14683-5}, year = {2020}, type = {Journal Article} } @article{RN130, author = {Parchenko, Sergii and Paris, Eugenio and McNally, Daniel and Abreu, Elsa and Dantz, Markus and Bothschafter, Elisabeth M. and Reid, Alexander H. and Schlotter, William F. and Lin, Ming-Fu and Wandel, Scott F. and Coslovich, Giacomo and Zohar, Sioan and Dakovski, Georgi L. and Turner, J. J. and Moeller, S. and Tseng, Yi and Radovic, Milan and Saathe, Conny and Agaaker, Marcus and Nordgren, Joseph E. and Johnson, Steven L. and Schmitt, Thorsten and Staub, Urs}, title = {Orbital dynamics during an ultrafast insulator to metal transition}, journal = {Phys. Rev. Research}, volume = {2}, number = {2}, pages = {023110}, DOI = {10.1103/PhysRevResearch.2.023110}, url = {https://link.aps.org/doi/10.1103/PhysRevResearch.2.023110}, year = {2020}, type = {Journal Article} } @article{RN131, author = {Pedrelli, L. and Keathley, P. D. and Cattaneo, L. and Kartner, F. X. and Keller, U.}, title = {Complete phase retrieval of photoelectron wavepackets}, journal = {New J. Phys.}, volume = {22}, number = {5}, ISSN = {1367-2630}, DOI = {10.1088/1367-2630/ab83d7}, url = {https://iopscience.iop.org/article/10.1088/1367-2630/ab83d7}, year = {2020}, type = {Journal Article} } @article{RN132, author = {Perry, Conaill F. and Jordan, Inga and Zhang, Pengju and von Conta, Aaron and Nunes, Fernanda B. and Wörner, Hans Jakob}, title = {Photoelectron Spectroscopy of Liquid Water with Tunable Extreme-Ultraviolet Radiation: Effects of Electron Scattering}, journal = {J. Phys. Chem. Lett.}, volume = {12}, number = {11}, pages = {2990-2996}, DOI = {10.1021/acs.jpclett.0c03424}, url = {https://doi.org/10.1021/acs.jpclett.0c03424}, year = {2021}, Dataset availability = {no dataset}, type = {Journal Article} } @article{RN133, author = {Perry, Conaill F. and Zhang, Pengju and Nunes, Fernanda B. and Jordan, Inga and von Conta, Aaron and Wörner, Hans Jakob}, title = {Ionization Energy of Liquid Water Revisited}, journal = {J. Phys. Chem. Lett.}, volume = {11}, number = {5}, pages = {1789-1794}, DOI = {10.1021/acs.jpclett.9b03391}, url = {https://doi.org/10.1021/acs.jpclett.9b03391}, year = {2020}, Dataset availability = {Hans Jakob Wörner (https://www.research-collection.ethz.ch/handle/20.500.11850/403034)}, type = {Journal Article} } @article{RN134, author = {Peterhans, Lisa and Nicolaidou, Eliana and Diamantis, Polydefkis and Alloa, Elisa and Leclerc, Mario and Surin, Mathieu and Clément, Sébastien and Röthlisberger, Ursula and Banerji, Natalie and Hayes, Sophia C.}, title = {Structural and Photophysical Templating of Conjugated Polyelectrolytes with Single-Stranded DNA}, journal = {Chem. Mater.}, volume = {32}, number = {17}, pages = {7347-7362}, ISSN = {0897-4756}, DOI = {10.1021/acs.chemmater.0c02251}, url = {https://doi.org/10.1021/acs.chemmater.0c02251}, year = {2020}, type = {Journal Article} } @article{RN135, author = {Pezzella, M. and Koner, D. and Meuwly, M.}, title = {Formation and Stabilization of Ground and Excited-State Singlet O-2 upon Recombination of P-3 Oxygen on Amorphous Solid Water}, journal = {J. Phys. Chem. Lett.}, volume = {11}, number = {6}, pages = {2171-2176}, ISSN = {1948-7185}, DOI = {10.1021/acs.jpclett.0c00130}, url = {https://pubs.acs.org/doi/abs/10.1021/acs.jpclett.0c00130}, year = {2020}, type = {Journal Article} } @article{RN136, author = {Porer, M. and Fechner, M. and Kubli, M. and Neugebauer, M. J. and Parchenko, S. and Esposito, V. and Narayan, A. and Spaldin, N. A. and Huber, R. and Radovic, M. and Bothschafter, E. M. and Glownia, J. M. and Sato, T. and Song, S. and Johnson, S. L. and Staub, U.}, title = {Ultrafast transient increase of oxygen octahedral rotations in a perovskite}, journal = {Phys. Rev. Research}, volume = {1}, number = {1}, pages = {012005}, DOI = {10.1103/PhysRevResearch.1.012005}, url = {https://doi.org/10.1103/PhysRevResearch.1.012005}, year = {2019}, type = {Journal Article} } @article{RN137, author = {Porer, M. and Rettig, L. and Bothschafter, E. M. and Esposito, V. and Versteeg, R. B. and van Loosdrecht, P. H. M. and Savoini, M. and Rittmann, J. and Kubli, M. and Lantz, G. and Schumann, O. J. and Nugroho, A. A. and Braden, M. and Ingold, G. and Johnson, S. L. and Beaud, P. and Staub, U.}, title = {Correlations between electronic order and structural distortions and their ultrafast dynamics in the single-layer manganite Pr0.5Ca1.5MnO4}, journal = {Phys. Rev. B}, volume = {101}, number = {7}, pages = {075119}, ISSN = {2469-9950}, DOI = {10.1103/PhysRevB.101.075119}, url = {https://doi.org/10.1103/PhysRevB.101.075119}, year = {2020}, type = {Journal Article} } @article{RN138, author = {Prat, E. and Abela, R. and Aiba, M. and Alarcon, A. and Alex, J. and Arbelo, Y. and Arrell, C. and Arsov, V. and Bacellar, C. and Beard, C. and Beaud, P. and Bettoni, S. and Biffiger, R. and Bopp, M. and Braun, H. H. and Calvi, M. and Cassar, A. and Celcer, T. and Chergui, M. and Chevtsov, P. and Cirelli, C. and Citterio, A. and Craievich, P. and Divall, M. C. and Dax, A. and Dehler, M. and Deng, Y. P. and Dietrich, A. and Dijkstal, P. and Dinapoli, R. and Dordevic, S. and Ebner, S. and Engeler, D. and Erny, C. and Esposito, V. and Ferrari, E. and Flechsig, U. and Follath, R. and Frei, F. and Ganter, R. and Garvey, T. and Geng, Z. Q. and Gobbo, A. and Gough, C. and Hauff, A. and Hauri, C. P. and Hiller, N. and Hunziker, S. and Huppert, M. and Ingold, G. and Ischebeck, R. and Janousch, M. and Johnson, P. J. M. and Johnson, S. L. and Juranic, P. and Jurcevic, M. and Kaiser, M. and Kalt, R. and Keil, B. and Kiselev, D. and Kittel, C. and Knopp, G. and Koprek, W. and Laznovsky, M. and Lemke, H. T. and Sancho, D. L. and Lohl, F. and Malyzhenkov, A. and Mancini, G. F. and Mankowsky, R. and Marcellini, F. and Marinkovic, G. and Martiel, I. and Marki, F. and Milne, C. J. and Mozzanica, A. and Nass, K. and Orlandi, G. L. and Loch, C. O. and Paraliev, M. and Patterson, B. and Patthey, L. and Pedrini, B. and Pedrozzi, M. and Pradervand, C. and Radi, P. and Raguin, J. Y. and Redford, S. and Rehanek, J. and Reiche, S. and Rivkin, L. and Romann, A. and Sala, L. and Sander, M. and Schietinger, T. and Schilcher, T. and Schlott, V. and Schmidt, T. and Seidel, M. and Stadler, M. and others }, title = {A compact and cost-effective hard X-ray free-electron laser driven by a high-brightness and low-energy electron beam}, journal = {Nature Photon.}, volume = {14}, number = {12}, pages = {748-+}, ISSN = {1749-4885}, DOI = {10.1038/s41566-020-00712-8}, url = {https://doi.org/10.1038/s41566-020-00712-8}, year = {2020}, type = {Journal Article} } @article{RN139, author = {Prlj, Antonio and Begusic, Tomislav and Zhang, Zhan Tong and Fish, George Cameron and Wehrle, Marius and Zimmermann, Tomas and Choi, Seonghoon and Roulet, Julien and Moser, Jacques-Edouard and Vaníček, Jiří}, title = {Semiclassical Approach to Photophysics Beyond Kasha's Rule and Vibronic Spectroscopy Beyond the Condon Approximation. The Case of Azulene}, journal = {J. Chem. Theory Comput.}, ISSN = {1549-9618}, DOI = {10.1021/acs.jctc.0c00079}, url = {https://doi.org/10.1021/acs.jctc.0c00079}, year = {2020}, type = {Journal Article} } @article{RN140, author = {Puppin, M. and Polishchuk, S. and Colonna, N. and Crepaldi, A. and Dirin, D. N. and Nazarenko, O. and De Gennaro, R. and Gatti, G. and Roth, S. and Barillot, T. and Poletto, L. and Xian, R. P. and Rettig, L. and Wolf, M. and Ernstorfer, R. and Kovalenko, M. V. and Marzari, N. and Grioni, M. and Chergui, M.}, title = {Evidence of Large Polarons in Photoemission Band Mapping of the Perovskite Semiconductor CsPbBr3}, journal = {Phys. Rev. Lett.}, volume = {124}, number = {20}, ISSN = {0031-9007}, DOI = {10.1103/PhysRevLett.124.206402}, url = {https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.124.206402}, year = {2020}, type = {Journal Article} } @article{RN141, author = {Rettig, L. and Caviezel, A. and Mariager, S. O. and Ingold, G. and Dornes, C. and Huang, S. W. and Johnson, J. A. and Radovic, M. and Huber, T. and Kubacka, T. and Ferrer, A. and Lemke, H. T. and Chollet, M. and Zhu, D. and Glownia, J. M. and Sikorski, M. and Robert, A. and Nakamura, M. and Kawasaki, M. and Tokura, Y. and Johnson, S. L. and Beaud, P. and Staub, U.}, title = {Disentangling transient charge order from structural dynamics contributions during coherent atomic motion studied by ultrafast resonant x-ray diffraction}, journal = {Phys. Rev. B}, volume = {99}, number = {13}, pages = {134302}, ISSN = {2469-9950}, DOI = {10.1103/PhysRevB.99.134302}, url = {https://doi.org/10.1103/PhysRevB.99.134302}, year = {2019}, type = {Journal Article} } @article{RN142, author = {Rivero, Uxía and Turan, Haydar Taylan and Meuwly, Markus and Willitsch, Stefan}, title = {Reactive atomistic simulations of Diels-Alder-type reactions: conformational and dynamic effects in the polar cycloaddition of 2,3-dibromobutadiene radical ions with maleic anhydride}, journal = {Mol. Phys.}, volume = {119}, number = {1-2}, pages = {e1825852}, ISSN = {0026-8976}, DOI = {10.1080/00268976.2020.1825852}, url = {https://doi.org/10.1080/00268976.2020.1825852}, year = {2021}, Dataset availability = {no dataset, supplementary material with publication}, type = {Journal Article} } @article{RN143, author = {Rivero, U. and Unke, O. T. and Meuwly, M. and Willitsch, S.}, title = {Reactive atomistic simulations of Diels-Alder reactions: The importance of molecular rotations}, journal = {J. Chem. Phys.}, volume = {151}, number = {10}, pages = {104301}, ISSN = {0021-9606}, DOI = {10.1063/1.5114981}, url = {https://doi.org/10.1063/1.5114981}, year = {2019}, Dataset availability = {Markus Meuwly (https://www.charmm.org/), please inquire for input data}, type = {Journal Article} } @article{RN144, author = {Rohwer, Egmont J. and Geng, Yan and Akbarimoosavi, Maryam and Daku, Latévi M. Lawson and Aleveque, Olivier and Levillain, Eric and Hauser, Jürg and Cannizzo, Andrea and Häner, Robert and Decurtins, Silvio and Stanley, Robert J. and Feurer, Thomas and Liu, Shi-Xia}, title = {Optically Controlled Electron Transfer in a ReI Complex}, journal = {Chem. Eur. J.}, volume = {27}, number = {17}, pages = {5399}, ISSN = {0947-6539}, DOI = {https://doi.org/10.1002/chem.202005125}, url = {https://doi.org/10.1002/chem.202005125}, year = {2021}, Dataset availability = {no dataset, supporting information with publication (https://chemistry-europe.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fchem.202005125&file=chem202005125-sup-0001-misc_information.pdf)}, type = {Journal Article} } @article{RN145, author = {Rossi, T. C. and Grolimund, D. and Cannelli, O. and Mancini, G. F. and Bacellar, C. and Kinschel, D. and Rouxel, J. R. and Ohannessian, N. and Pergolesi, D. and Chergui, M.}, title = {X-ray absorption linear dichroism at the Ti K-edge of rutile (001) TiO2 single crystal}, journal = {J. Synchrotron Rad.}, volume = {27}, number = {2}, pages = {425-435}, ISSN = {1600-5775}, DOI = {10.1107/S160057752000051X}, url = {https://doi.org/10.1107/S160057752000051X}, year = {2020}, type = {Journal Article} } @article{RN146, author = {Rossi, T. C. and Grolimund, D. and Nachtegaal, M. and Cannelli, O. and Mancini, G. F. and Bacellar, C. and Kinsche, D. and Rouxel, J. R. and Ohannessian, N. and Pergolesi, D. and Lippert, T. and Chergui, M.}, title = {X-ray absorption linear dichroism at the Ti K edge of anatase TiO2 single crystals}, journal = {Phys. Rev. B}, volume = {100}, number = {24}, pages = {245207}, ISSN = {2469-9950}, DOI = {10.1103/PhysRevB.100.245207}, url = {https://doi.org/10.1103/PhysRevB.100.245207}, year = {2019}, type = {Journal Article} } @article{RN147, author = {Roulet, J. and Choi, S. and Vaníček, Jiří}, title = {Efficient geometric integrators for nonadiabatic quantum dynamics. II. The diabatic representation}, journal = {J. Chem. Phys.}, volume = {150}, number = {20}, pages = {204113}, ISSN = {0021-9606}, DOI = {10.1063/1.5094046}, url = {https://doi.org/10.1063/1.5094046}, year = {2019}, type = {Journal Article} } @article{RN148, author = {Roulet, J. and Vanicek, J.}, title = {Time-reversible high-order integrators for the nonlinear time-dependent Schrödinger equation: Application to local control theory}, journal = {arXiv}, pages = {2006.16902}, DOI = { arXiv:2006.16902}, url = {https://arxiv.org/abs/2006.16902}, year = {2020}, type = {Journal Article} } @article{RN149, author = {Rouxel, Jérémy R. and Fainozzi, Danny and Mankowsky, Roman and Rösner, Benedikt and Seniutinas, Gediminas and Mincigrucci, Riccardo and Catalini, Sara and Foglia, Laura and Cucini, Riccardo and Döring, Florian and Kubec, Adam and Koch, Frieder and Bencivenga, Filippo and Haddad, Andre Al and Gessini, Alessandro and Maznev, Alexei A. and Cirelli, Claudio and Gerber, Simon and Pedrini, Bill and Mancini, Giulia F. and Razzoli, Elia and Burian, Max and Ueda, Hiroki and Pamfilidis, Georgios and Ferrari, Eugenio and Deng, Yunpei and Mozzanica, Aldo and Johnson, Philip J. M. and Ozerov, Dmitry and Izzo, Maria Grazia and Bottari, Cettina and Arrell, Christopher and Divall, Edwin James and Zerdane, Serhane and Sander, Mathias and Knopp, Gregor and Beaud, Paul and Lemke, Henrik T. and Milne, Chris J. and David, Christian and Torre, Renato and Chergui, Majed and Nelson, Keith A. and Masciovecchio, Claudio and Staub, Urs and Patthey, Luc and Svetina, Cristian}, title = {Hard X-ray transient grating spectroscopy on bismuth germanate}, journal = {Nature Photon.}, ISSN = {1749-4893}, DOI = {10.1038/s41566-021-00797-9}, url = {https://doi.org/10.1038/s41566-021-00797-9}, year = {2021}, Dataset availability = {No dataset, but raw data are available from the corresponding authors upon request.}, type = {Journal Article} } @article{RN150, author = {Runeson, J. E. and Richardson, J. O.}, title = {Spin-mapping approach for nonadiabatic molecular dynamics}, journal = {J. Chem. Phys.}, volume = {151}, number = {4}, pages = {044119}, ISSN = {0021-9606}, DOI = {10.1063/1.5100506}, url = {https://doi.org/10.1063/1.5100506}, year = {2019}, type = {Journal Article} } @article{RN151, author = {Runeson, Johan E. and Richardson, Jeremy O.}, title = {Generalized spin mapping for quantum-classical dynamics}, journal = {J. Chem. Phys.}, volume = {152}, number = {8}, pages = {084110}, ISSN = {0021-9606}, DOI = {10.1063/1.5143412}, url = {https://doi.org/10.1063/1.5143412}, year = {2020}, type = {Journal Article} } @article{RN152, author = {Rupp, D. and Fluckiger, L. and Adolph, M. and Colombo, A. and Gorkhover, T. and Harmand, M. and Krikunova, M. and Muller, J. P. and Oelze, T. and Ovcharenko, Y. and Richter, M. and Sauppe, M. and Schorb, S. and Treusch, R. and Wolter, D. and Bostedt, C. and Moller, T.}, title = {Imaging plasma formation in isolated nanoparticles with ultrafast resonant scattering}, journal = {Struct. Dynam.}, volume = {7}, number = {3}, pages = {034303}, DOI = {10.1063/4.0000006}, url = {https://aca.scitation.org/doi/10.1063/4.0000006}, year = {2020}, Dataset availability = {suppl. data: https://aca.scitation.org/doi/suppl/10.1063/4.0000006 suppl. data: https://cxidb.org/id-146.html}, type = {Journal Article} } @article{RN153, author = {Salehi, S. M. and Koner, D. and Meuwly, M.}, title = {Vibrational Spectroscopy of N-3(-) in the Gas and Condensed Phase}, journal = {J. Phys. Chem. B}, volume = {123}, number = {15}, pages = {3282-3290}, ISSN = {1520-6106}, DOI = {10.1021/acs.jpcb.8b11430}, url = {https://doi.org/10.1021/acs.jpcb.8b11430}, year = {2019}, type = {Journal Article} } @article{RN154, author = {Salehi, S. M. and Koner, D. and Meuwly, M.}, title = {Dynamics and Infrared Spectroscopy of Monomeric and Dimeric Wild Type and Mutant Insulin}, journal = {J. Phys. Chem. B}, volume = {124}, number = {52}, pages = {11882-11894}, ISSN = {1520-6106}, DOI = {10.1021/acs.jpcb.0c08048}, url = {https://pubs.acs.org/doi/abs/10.1021/acs.jpcb.0c08048}, year = {2020}, type = {Journal Article} } @article{RN155, author = {Saller, Maximilian A. C. and Kelly, Aaron and Richardson, Jeremy O.}, title = {On the identity of the identity operator in nonadiabatic linearized semiclassical dynamics}, journal = {J. Chem. Phys.}, volume = {150}, number = {7}, pages = {071101}, ISSN = {0021-9606}, DOI = {10.1063/1.5082596}, url = {https://doi.org/10.1063/1.5082596}, year = {2019}, type = {Journal Article} } @article{RN156, author = {Saller, M. A. C. and Kelly, A. and Richardson, J. O.}, title = {Improved population operators for multi-state nonadiabatic dynamics with the mixed quantum-classical mapping approach}, journal = {Faraday Disc.}, volume = {221}, pages = {150-167}, ISSN = {1359-6640}, DOI = {10.1039/c9fd00050j}, url = {https://doi.org/10.1039/C9FD00050J}, year = {2020}, type = {Journal Article} } @inbook{RN157, author = {Saller, Maximilian A. C. and Runeson, Johan E. and Richardson, Jeremy O.}, title = {Path-Integral Approaches to Non-Adiabatic Dynamics}, booktitle = {Quantum Chemistry and Dynamics of Excited States}, editor = {(Ed.), L. González}, series = {Wiley Online Books}, pages = {629-653}, ISBN = {9781119417774}, DOI = {https://doi.org/10.1002/9781119417774.ch20}, url = {https://doi.org/10.1002/9781119417774.ch20}, year = {2020}, type = {Book Section} } @article{RN158, author = {San Vicente Veliz, Juan Carlos and Koner, Debasish and Schwilk, Max and Bemish, Raymond J. and Meuwly, Markus}, title = {The N(4S) + O2(X3Σ−g) ↔ O(3P) + NO(X2Π) reaction: thermal and vibrational relaxation rates for the 2A′, 4A′ and 2A′′ states}, journal = {Phys. Chem. Chem. Phys.}, volume = {22}, number = {7}, pages = {3927-3939}, ISSN = {1463-9076}, DOI = {10.1039/C9CP06085E}, url = {http://dx.doi.org/10.1039/C9CP06085E}, year = {2020}, type = {Journal Article} } @article{RN159, author = {Schild, A. and Peper, M. and Perry, C. and Rattenbacher, D. and Wörner, H. J.}, title = {Alternative Approach for the Determination of Mean Free Paths of Electron Scattering in Liquid Water Based on Experimental Data}, journal = {J. Phys. Chem. Lett.}, volume = {11}, number = {3}, pages = {1128-1134}, ISSN = {1948-7185}, DOI = {10.1021/acs.jpclett.9b02910}, url = {https://doi.org/10.1021/acs.jpclett.9b02910}, year = {2020}, type = {Journal Article} } @article{RN160, author = {Schläpfer, F. and Volkov, M. and Hartmann, N. and Niedermayr, A. and Schumacher, Z. and Gallmann, L. and Keller, U.}, title = {Phase stabilization of an attosecond beamline combining two IR colors}, journal = {Opt. Express}, volume = {27}, number = {16}, pages = {22385-22392}, ISSN = {1094-4087}, DOI = {10.1364/oe.27.022385}, url = {https://doi.org/10.1364/OE.27.022385}, year = {2019}, Dataset availability = {Dataset title: same as publication Dataset persistent identifier: https://doi.org/10.3929/ethz-b-000405906 NCCR projects involved: Keller Responsible person: Keller URL: https://doi.org/10.3929/ethz-b-000405906}, type = {Journal Article} } @article{RN161, author = {Schuhmann, K. and Kirch, K. and Knecht, A. and Marszalek, M. and Nez, F. and Nuber, J. and Pohl, R. and Schulthess, I. and Sinkunaite, L. and Zeyen, M. and Antognini, A.}, title = {Passive alignment stability and auto-alignment of multipass amplifiers based on Fourier transforms}, journal = {Appl. Opt.}, volume = {58}, number = {11}, pages = {2904-2912}, ISSN = {1559-128X}, DOI = {10.1364/ao.58.002904}, url = {https://doi.org/10.1364/AO.58.002904}, year = {2019}, type = {Journal Article} } @article{RN162, author = {Schweizer, T. and Nicolau, B. G. and Cavassin, P. and Feurer, T. and Banerji, N. and Rehault, J.}, title = {High-resolution phase-sensitive sum frequency generation spectroscopy by time-domain ptychography}, journal = {Opt. Lett.}, volume = {45}, number = {21}, pages = {6082-6085}, ISSN = {0146-9592}, DOI = {10.1364/ol.403339}, url = {https://doi.org/10.1364/OL.403339}, year = {2020}, Dataset availability = {Data related to manuscript ['High resolution phase-sensitive sum frequency generation spectroscopy by time- domain ptychography', Optics Letters (2020) " 10.7892/boris.146741" Natalie Banerji https://boris.unibe.ch/id/eprint/146741 Matlab Code for reconstruction of SFG spectra related to manuscript ['High resolution phase-sensitive sum frequency generation spectroscopy by time- domain ptychography', Optics Letters (2020) 10.7892/boris.146748 Natalie Banerji https://boris.unibe.ch/id/eprint/146748}, type = {Journal Article} } @article{RN163, author = {Sciortino, A. and Gazzetto, M. and Soriano, M. L. and Cannas, M. and Cardenas, S. and Cannizzo, A. and Messina, F.}, title = {Ultrafast spectroscopic investigation on fluorescent carbon nanodots: the role of passivation}, journal = {Phys. Chem. Chem. Phys.}, volume = {21}, number = {30}, pages = {16459-16467}, ISSN = {1463-9076}, DOI = {10.1039/c9cp03063h}, url = {https://doi.org/10.1039/C9CP03063H}, year = {2019}, type = {Journal Article} } @article{RN164, author = {Shalit, A. and Mousavi, S. J. and Hamm, P.}, title = {2D Raman–THz Spectroscopy of Binary CHBr3–MeOH Solvent Mixture}, journal = {J. Phys. Chem. B}, volume = {125}, number = {2}, pages = {581-586}, ISSN = {- 1520-6106}, DOI = {10.1021/acs.jpcb.0c08962}, url = {https://doi.org/10.1021/acs.jpcb.0c08962}, year = {2021}, Dataset availability = {Peter Hamm, Andrej Shalit (https://zenodo.org/record/4415635#.YE9euuYo_GI)}, type = {Journal Article} } @article{RN165, author = {Shi, L. and Johnson, S. L. and Reiche, S.}, title = {Compact and powerful THz source investigation on laser plasma wakefield injector and dielectric lined structure}, journal = {Phys. Rev. Accel & Beams}, volume = {23}, number = {1}, pages = {014071}, ISSN = {2469-9888}, DOI = {10.1103/PhysRevAccelBeams.23.014701}, url = {https://doi.org/10.1103/PhysRevAccelBeams.23.014701}, year = {2020}, Dataset availability = {Dataset not applicable, no data (calculation/theory paper)}, type = {Journal Article} } @article{RN166, author = {Sidler, David and Hamm, Peter}, title = {Feynman diagram description of 2D-Raman-THz spectroscopy applied to water}, journal = {J. Chem. Phys.}, volume = {150}, number = {4}, pages = {044202}, ISSN = {0021-9606}, DOI = {10.1063/1.5079497}, url = {https://doi.org/10.1063/1.5079497 https://www.zora.uzh.ch/id/eprint/161657/1/Pr-Print.pdf}, year = {2019}, Dataset availability = {Peter Hamm / David Sidler https://zenodo.org/record/5012605#.YN2mzh1CRR0}, type = {Journal Article} } @article{RN167, author = {Sidler, D. and Hamm, P.}, title = {A Feynman diagram description of the 2D-Raman-THz response of amorphous ice}, journal = {J. Chem. Phys.}, volume = {153}, number = {4}, pages = {044502}, ISSN = {0021-9606}, DOI = {10.1063/5.0018485}, url = {https://aip.scitation.org/doi/abs/10.1063/5.0018485}, year = {2020}, type = {Journal Article} } @article{RN168, author = {Signorell, R.}, title = {Can Current Experimental Data Exclude Non-Gaussian Genuine Band Shapes in Ultraviolet Photoelectron Spectra of the Hydrated Electron?}, journal = {J. Phys. Chem. Lett.}, volume = {11}, number = {4}, pages = {1516-1519}, ISSN = {1948-7185}, DOI = {10.1021/acs.jpclett.0c00238}, url = {https://doi.org/10.1021/acs.jpclett.0c00238}, year = {2020}, type = {Journal Article} } @article{RN169, author = {Signorell, Ruth}, title = {Electron Scattering in Liquid Water and Amorphous Ice: A Striking Resemblance}, journal = {Phys. Rev. Lett.}, volume = {124}, number = {20}, pages = {205501}, DOI = {10.1103/PhysRevLett.124.205501}, url = {https://link.aps.org/doi/10.1103/PhysRevLett.124.205501}, year = {2020}, type = {Journal Article} } @article{RN170, author = {Singh, Himanshu and Das, Chandan K. and Vasa, Suresh K. and Grohe, Kristof and Schäfer, Lars V. and Linser, Rasmus}, title = {The Active Site of a Prototypical “Rigid” Drug Target is Marked by Extensive Conformational Dynamics}, journal = {Angew. Chem. Int. Ed.}, volume = {59}, number = {51}, pages = {22916-22921}, ISSN = {1433-7851}, DOI = {https://doi.org/10.1002/anie.202009348}, url = {https://doi.org/10.1002/anie.202009348}, year = {2020}, type = {Journal Article} } @article{RN171, author = {Singh, Himanshu and Vasa, Suresh K. and Jangra, Harish and Rovó, Petra and Päslack, Christopher and Das, Chandan K. and Zipse, Hendrik and Schäfer, Lars V. and Linser, Rasmus}, title = {Fast Microsecond Dynamics of the Protein–Water Network in the Active Site of Human Carbonic Anhydrase II Studied by Solid-State NMR Spectroscopy}, journal = {J. Am. Chem Soc.}, volume = {141}, number = {49}, pages = {19276-19288}, ISSN = {0002-7863}, DOI = {10.1021/jacs.9b05311}, url = {https://doi.org/10.1021/jacs.9b05311}, year = {2019}, type = {Journal Article} } @article{RN172, author = {Skopintsev, Petr and Ehrenberg, David and Weinert, Tobias and James, Daniel and Kar, Rajiv K. and Johnson, Philip J. M. and Ozerov, Dmitry and Furrer, Antonia and Martiel, Isabelle and Dworkowski, Florian and Nass, Karol and Knopp, Gregor and Cirelli, Claudio and Arrell, Christopher and Gashi, Dardan and Mous, Sandra and Wranik, Maximilian and Gruhl, Thomas and Kekilli, Demet and Brünle, Steffen and Deupi, Xavier and Schertler, Gebhard F. X. and Benoit, Roger M. and Panneels, Valerie and Nogly, Przemyslaw and Schapiro, Igor and Milne, Christopher and Heberle, Joachim and Standfuss, Jörg}, title = {Femtosecond-to-millisecond structural changes in a light-driven sodium pump}, journal = {Nature}, ISSN = {1476-4687}, DOI = {10.1038/s41586-020-2307-8}, url = {https://doi.org/10.1038/s41586-020-2307-8}, year = {2020}, Dataset availability = {suppl. data: with paper (same DOI) https://www.rcsb.org/structure/6RQP https://www.rcsb.org/structure/6RQO https://www.rcsb.org/structure/6RNJ https://www.rcsb.org/structure/6RPH}, type = {Journal Article} } @article{RN173, author = {Smith, Adam D. and Balčiu̅nas, Tadas and Chang, Yi-Ping and Schmidt, Cédric and Zinchenko, Kristina and Nunes, Fernanda B. and Rossi, Emanuele and Svoboda, Vít and Yin, Zhong and Wolf, Jean-Pierre and Wörner, Hans Jakob}, title = {Femtosecond Soft-X-ray Absorption Spectroscopy of Liquids with a Water-Window High-Harmonic Source}, journal = {J. Phys. Chem. Lett.}, volume = {11}, number = {6}, pages = {1981-1988}, DOI = {10.1021/acs.jpclett.9b03559}, url = {https://doi.org/10.1021/acs.jpclett.9b03559}, year = {2020}, type = {Journal Article} } @article{RN174, author = {Smolentsev, G. and Milne, C. J. and Guda, A. and Haldrup, K. and Szlachetko, J. and Azzaroli, N. and Cirelli, C. and Knopp, G. and Bohinc, R. and Menzi, S. and Pamfilidis, G. and Gashi, D. and Beck, M. and Mozzanica, A. and James, D. and Bacellar, C. and Mancini, G. F. and Tereshchenko, A. and Shapovalov, V. and Kwiatek, W. M. and Czapla-Masztafiak, J. and Cannizzo, A. and Gazzetto, M. and Sander, M. and Levantino, M. and Kabanova, V. and Rychagova, E. and Ketkov, S. and Olaru, M. and Beckmann, J. and Vogt, M.}, title = {Taking a snapshot of the triplet excited state of an OLED organometallic luminophore using X-rays}, journal = {Nature Commun.}, volume = {11}, number = {1}, ISSN = {2041-1723}, DOI = {10.1038/s41467-020-15998-z}, url = {https://www.nature.com/articles/s41467-020-15998-z}, year = {2020}, type = {Journal Article} } @article{RN175, author = {Socie, E. and Vale, B. R. C. and Burgos-Caminal, A. and Moser, J. E.}, title = {Direct Observation of Shallow Trap States in Thermal Equilibrium with Band-Edge Excitons in Strongly Confined CsPbBr3 Perovskite Nanoplatelets}, journal = {Adv. Opt. Mater.}, volume = {9}, number = {1}, ISSN = {2195-1071}, DOI = {10.1002/adom.202001308}, url = {https://onlinelibrary.wiley.com/doi/full/10.1002/adom.202001308}, year = {2021}, Dataset availability = {Jacques Moser (https://infoscience.epfl.ch/record/281656)}, type = {Journal Article} } @article{RN176, author = {Su, T. S. and Eickemeyer, F. T. and Hope, M. A. and Jahanbakhshi, F. and Mladenovic, M. and Li, J. and Zhou, Z. W. and Mishra, A. and Yum, J. H. and Ren, D. and Krishna, A. and Ouellette, O. and Wei, T. C. and Zhou, H. and Huang, H. H. and Mensi, M. D. and Sivula, K. and Zakeeruddin, S. M. and Milic, J. V. and Hagfeldt, A. and Röthlisberger, U. and Emsley, L. and Zhang, H. and Grätzel, M.}, title = {Crown Ether Modulation Enables over 23% Efficient Formamidinium-Based Perovskite Solar Cells}, journal = {J. Am. Chem Soc.}, volume = {142}, number = {47}, pages = {19980-19991}, ISSN = {0002-7863}, DOI = {10.1021/jacs.0c08592}, url = {https://doi.org/10.1021/jacs.0c08592}, year = {2020}, Dataset availability = {Ursula Röthlisberger (https://doi.org/10.5281/zenodo.4597556)}, type = {Journal Article} } @article{RN177, author = {Svetina, C. and Mankowsky, R. and Knopp, G. and Koch, F. and Seniutinas, G. and Rösner, B. and Kubec, A. and Lebugle, M. and Mochi, I. and Beck, M. and Cirelli, C. and Krempasky, J. and Pradervand, C. and Rouxel, J. and Mancini, G. F. and Zerdane, S. and Pedrini, B. and Esposito, V. and Ingold, G. and Wagner, U. and Flechsig, U. and Follath, R. and Chergui, M. and Milne, C. and Lemke, H. T. and David, C. and Beaud, P.}, title = {Towards X-ray transient grating spectroscopy}, journal = {Opt. Lett.}, volume = {44}, number = {3}, pages = {574-577}, DOI = {10.1364/OL.44.000574}, url = {http://ol.osa.org/abstract.cfm?URI=ol-44-3-574}, year = {2019}, type = {Journal Article} } @article{RN178, author = {Sweeny, B. C. and Pan, H. Q. and Kassem, A. and Sawyer, J. C. and Ard, S. G. and Shuman, N. S. and Viggiano, A. A. and Brickel, S. and Unke, O. T. and Upadhyay, M. and Meuwly, M.}, title = {Thermal activation of methane by MgO+: temperature dependent kinetics, reactive molecular dynamics simulations and statistical modeling}, journal = {Phys. Chem. Chem. Phys.}, volume = {22}, number = {16}, pages = {8913-8923}, ISSN = {1463-9076}, DOI = {10.1039/d0cp00668h}, url = {https://pubs.rsc.org/en/content/articlelanding/2020/cp/d0cp00668h}, year = {2020}, type = {Journal Article} } @article{RN179, author = {Thapa, Manish J. and Fang, Wei and Richardson, Jeremy O.}, title = {Nonadiabatic quantum transition-state theory in the golden-rule limit. I. Theory and application to model systems}, journal = {J. Chem. Phys.}, volume = {150}, number = {10}, pages = {104107}, ISSN = {0021-9606}, DOI = {10.1063/1.5081108}, url = {https://doi.org/10.1063/1.5081108}, year = {2019}, type = {Journal Article} } @article{RN180, author = {Trabattoni, A. and Colaizzi, L. and Ban, L. and Wanie, V. and Saraswathula, K. and Mansson, E. P. and Rupp, P. and Liu, Q. C. and Seiffert, L. and Herzig, E. A. and Cartella, A. and Yoder, B. L. and Legare, F. and Kling, M. F. and Fennel, T. and Signorell, R. and Calegari, F.}, title = {Photoelectron spectroscopy of large water clusters ionized by an XUV comb}, journal = {J. Phys. Photon.}, volume = {2}, number = {3}, ISSN = {2515-7647}, DOI = {10.1088/2515-7647/ab92b1}, url = {https://iopscience.iop.org/article/10.1088/2515-7647/ab92b1}, year = {2020}, type = {Journal Article} } @article{RN181, author = {Tsokkou, D. and Peterhans, L. and Cao, D. X. and Mai, C. K. and Bazan, G. C. and Nguyen, T. Q. and Banerji, N.}, title = {Excited State Dynamics of a Self-Doped Conjugated Polyelectrolyte}, journal = {Adv. Func. Mat.}, volume = {26}, pages = {1906148}, ISSN = {1616-301X}, DOI = {10.1002/adfm.201906148}, url = {https://doi.org/10.1002/adfm.201906148}, year = {2019}, Dataset availability = {Data related to manuscript ['Excited State Dynamics of a Self‐Doped Conjugated Polyelectrolyte, Advanced Functional Materials (2019) 10.7892/boris.140727 Natalie Banerji https://boris.unibe.ch/id/eprint/140727}, type = {Journal Article} } @article{RN182, author = {Turan, Haydar Taylan and Meuwly, Markus}, title = {Spectroscopy, Dynamics, and Hydration of S-Nitrosylated Myoglobin}, journal = {J. Phys. Chem. B}, ISSN = {1520-6106}, DOI = {10.1021/acs.jpcb.0c10353}, url = {https://doi.org/10.1021/acs.jpcb.0c10353}, year = {2021}, Dataset availability = {Markus Meuwly (https://www.rcsb.org/structure/2NRM, https://www.rcsb.org/structure/2NRL)}, type = {Journal Article} } @article{RN183, author = {Tzschaschel, C. and Satoh, T. and Fiebig, M.}, title = {Tracking the ultrafast motion of an antiferromagnetic order parameter}, journal = {Nature Commun.}, volume = {10}, pages = {3995}, ISSN = {2041-1723}, DOI = {10.1038/s41467-019-11961-9}, url = {https://doi.org/10.1038/s41467-019-11961-9}, year = {2019}, Dataset availability = {Manfred Fiebig (https://www.research-collection.ethz.ch/handle/20.500.11850/492546)}, type = {Journal Article} } @article{RN184, author = {Tzschaschel, Christian and Satoh, Takuya and Fiebig, Manfred}, title = {Efficient spin excitation via ultrafast damping-like torques in antiferromagnets}, journal = {Nature Commun.}, volume = {11}, number = {1}, pages = {6142}, ISSN = {2041-1723}, DOI = {10.1038/s41467-020-19749-y}, url = {https://doi.org/10.1038/s41467-020-19749-y}, year = {2020}, Dataset availability = {suppl. data: https://doi.org/10.3929/ethz-b-000455474}, type = {Journal Article} } @article{RN185, author = {Ueda, Hiroki and Porer, Michael and Mardegan, José R. L. and Parchenko, Sergii and Gurung, Namrata and Fabrizi, Federica and Ramakrishnan, Mahesh and Boie, Larissa and Neugebauer, Martin Josef and Burganov, Bulat and Burian, Max and Johnson, Steven Lee and Rossnagel, Kai and Staub, Urs}, title = {Correlation between electronic and structural orders in 1T−TiSe2}, journal = {Phys. Rev. Res.}, volume = {3}, number = {2}, pages = {L022003}, DOI = {10.1103/PhysRevResearch.3.L022003}, url = {https://link.aps.org/doi/10.1103/PhysRevResearch.3.L022003}, year = {2021}, Dataset availability = {Hiroki Ueda (https://archive.materialscloud.org/record/2021.48)}, type = {Journal Article} } @article{RN186, author = {Unke, Oliver T. and Brickel, Sebastian and Meuwly, Markus}, title = {Sampling reactive regions in phase space by following the minimum dynamic path}, journal = {J. Chem. Phys.}, volume = {150}, number = {7}, pages = {074107}, ISSN = {0021-9606}, DOI = {10.1063/1.5082885}, url = {https://doi.org/10.1063/1.5082885}, year = {2019}, Dataset availability = {Markus Meuwly (https://www.charmm.org/), please inquire for input data}, type = {Journal Article} } @article{RN187, author = {Unke, O. T. and Meuwly, M.}, title = {PhysNet: A Neural Network for Predicting Energies, Forces, Dipole Moments, and Partial Charges}, journal = {J. Chem. Theory Comput.}, volume = {15}, number = {6}, pages = {3678-3693}, ISSN = {1549-9618}, DOI = {10.1021/acs.jctc.9b00181}, url = {https://doi.org/10.1021/acs.jctc.9b00181}, year = {2019}, Dataset availability = {Markus Meuwly (https://github.com/MeuwlyGroup/PhysNet)}, type = {Journal Article} } @article{RN188, author = {Vaillant, C. L. and Thapa, M. J. and Vaníček, Jiří and Richardson, J. O.}, title = {Semiclassical analysis of the quantum instanton approximation}, journal = {J. Chem. Phys.}, volume = {151}, number = {14}, pages = {144111}, ISSN = {0021-9606}, DOI = {10.1063/1.5123800}, url = {https://doi.org/10.1063/1.5123800}, year = {2019}, type = {Journal Article} } @article{RN189, author = {Valadan, M. and Pomarico, E. and Della Ventura, B. and Gesuele, F. and Velotta, R. and Amoresano, A. and Pinto, G. and Chergui, M. and Improta, R. and Altucci, C.}, title = {A multi-scale time-resolved study of photoactivated dynamics in 5-benzyl uracil, a model for DNA/protein interactions}, journal = {Phys. Chem. Chem. Phys.}, volume = {21}, number = {48}, pages = {26301-26310}, ISSN = {1463-9076}, DOI = {10.1039/c9cp03839f}, url = {https://doi.org/10.1039/C9CP03839F}, year = {2019}, type = {Journal Article} } @article{RN190, author = {Vale, B. R. C. and Socie, E. and Burgos-Caminal, A. and Bettini, J. and Schiavon, M. A. and Moser, J. E.}, title = {Exciton, Biexciton, and Hot Exciton Dynamics in CsPbBr3 Colloidal Nanoplatelets}, journal = {J. Phys. Chem. Lett.}, volume = {11}, number = {2}, pages = {387-394}, ISSN = {1948-7185}, DOI = {10.1021/acs.jpclett.9b03282}, url = {https://doi.org/10.1021/acs.jpclett.9b03282}, year = {2020}, Dataset availability = {Jacques Moser (10.5281/zenodo.5062956)}, type = {Journal Article} } @article{RN191, author = {Vale, Brener R. C. and Socie, Etienne and Cunha, Leticia R. C. and Fonseca, Andre F. V. and Vaz, Roberto and Bettini, Jefferson and Moser, Jacques- E. and Schiavon, Marco A.}, title = {Revealing Exciton and Metal–Ligand Conduction Band Charge Transfer Absorption Spectra in Cu-Zn-In-S Nanocrystals}, journal = {J. Phys. Chem. C}, volume = {124}, number = {50}, pages = {27858-27866}, ISSN = {1932-7447}, DOI = {10.1021/acs.jpcc.0c09681}, url = {https://doi.org/10.1021/acs.jpcc.0c09681}, year = {2020}, type = {Journal Article} } @article{RN192, author = {Vanacore, G. M. and Berruto, G. and Madan, I. and Pomarico, E. and Biagioni, P. and Lamb, R. J. and McGrouther, D. and Reinhardt, O. and Kaminer, I. and Barwick, B. and Larocque, H. and Grillo, V. and Karimi, E. and García de Abajo, F. J. and Carbone, F.}, title = {Ultrafast generation and control of an electron vortex beam via chiral plasmonic near fields}, journal = {Nat. Mater.}, volume = {18}, pages = {573-579}, ISSN = {1476-4660}, DOI = {10.1038/s41563-019-0336-1}, url = {https://doi.org/10.1038/s41563-019-0336-1}, year = {2019}, type = {Journal Article} } @article{RN193, author = {Vanacore, G. M. and Madan, I. and Carbone, F.}, title = {Spatio-temporal shaping of a free-electron wave function via coherent light-electron interaction}, journal = {Rivista Del Nuovo Cimento}, volume = {43}, number = {11}, pages = {567-597}, ISSN = {0393-697X}, DOI = {10.1007/s40766-020-00012-5}, url = {https://link.springer.com/article/10.1007/s40766-020-00012-5}, year = {2020}, type = {Journal Article} } @article{RN194, author = {Volkov, Mikhail and Pupeikis, Justinas and Phillips, Christopher R. and Schlaepfer, Fabian and Gallmann, Lukas and Keller, Ursula}, title = {Reduction of laser-intensity-correlated noise in high-harmonic generation}, journal = {Opt. 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A. and Schläpfer, F. and Kasmi, L. and Hartmann, N. and Lucchini, M. and Gallmann, L. and Rubio, A. and Keller, U.}, title = {Attosecond screening dynamics mediated by electron localization in transition metals}, journal = {Nature Phys.}, volume = {15}, number = {11}, pages = {1145-1149}, ISSN = {1745-2473}, DOI = {10.1038/s41567-019-0602-9}, url = {https://www.nature.com/articles/s41567-019-0602-9}, year = {2019}, Dataset availability = {Dataset title: same as publication Dataset persistent identifier: https://doi.org/10.3929/ethz-b-000345468 NCCR projects involved: Keller Responsible person: Keller URL: https://doi.org/10.3929/ethz-b-000345468}, type = {Journal Article} } @article{RN196, author = {Waltar, Kay and Haase, Johannes and Pan, Rui and Golz, Torsten and Kliuiev, Pavel and Weinl, Michael and Schreck, Matthias and Bajt, Saša and Stojanovic, Nikola and van Bokhoven, Jeroen A. and Hengsberger, Matthias and Osterwalder, Jürg and Castiglioni, Luca}, title = {Polarization-sensitive reconstruction of transient local THz fields at dielectric interfaces}, journal = {Optica}, volume = {6}, number = {11}, pages = {1431-1436}, DOI = {10.1364/OPTICA.6.001431}, url = {https://doi.org/10.1364/OPTICA.6.001431}, year = {2019}, Dataset availability = {10.5281/zenodo.5045227 Matthias Hengsberger / Jürg Osterwalder https://zenodo.org/record/5045227}, type = {Journal Article} } @article{RN197, author = {Wang, L. J. and Rossi, T. and Oppermann, M. and Bauer, B. and Mewes, L. and Zare, D. and Chow, T. H. and Wang, J. F. and Chergui, M.}, title = {Slow Charge Carrier Relaxation in Gold Nanoparticles}, journal = {J. Phys. Chem. C}, volume = {124}, number = {44}, pages = {24322-24330}, ISSN = {1932-7447}, DOI = {10.1021/acs.jpcc.0c07755}, url = {https://doi.org/10.1021/acs.jpcc.0c07755}, year = {2020}, Dataset availability = {Majed Chergui (https://osf.io/user/6zkf2/7g5ht/claim/?token=2yK85AiLxJTrt5kpbi53lOUCJKXFww)}, type = {Journal Article} } @article{RN198, author = {Weinert, Tobias and Skopintsev, Petr and James, Daniel and Dworkowski, Florian and Panepucci, Ezequiel and Kekilli, Demet and Furrer, Antonia and Brünle, Steffen and Mous, Sandra and Ozerov, Dmitry and Nogly, Przemyslaw and Wang, Meitian and Standfuss, Jörg}, title = {Proton uptake mechanism in bacteriorhodopsin captured by serial synchrotron crystallography}, journal = {Science}, volume = {365}, number = {6448}, pages = {61-65}, DOI = {10.1126/science.aaw8634}, url = {http://science.sciencemag.org/content/365/6448/61.abstract}, year = {2019}, type = {Journal Article} } @article{RN199, author = {Willenberg, B. and Maurer, J. and Keller, U. and Danek, J. and Klaiber, M. and Teeny, N. and Hatsagortsyan, K. Z. and Keitel, C. H.}, title = {Holographic interferences in strong-field ionization beyond the dipole approximation: The influence of the peak and focal-volume-averaged laser intensities}, journal = {Phys. Rev. A}, volume = {100}, number = {3}, pages = {033417}, ISSN = {2469-9926}, DOI = {10.1103/PhysRevA.100.033417}, url = {https://doi.org/10.1103/PhysRevA.100.033417}, year = {2019}, Dataset availability = {Dataset title: same as publication Dataset persistent identifier: https://doi.org/10.3929/ethz-b-000406136 NCCR projects involved: Keller Responsible person: Keller URL: https://doi.org/10.3929/ethz-b-000406136}, type = {Journal Article} } @article{RN200, author = {Willenberg, Benjamin and Maurer, Jochen and Mayer, Benedikt W. and Keller, Ursula}, title = {Sub-cycle time resolution of multi-photon momentum transfer in strong-field ionization}, journal = {Nat. Commun.}, volume = {10}, number = {1}, pages = {5548}, ISSN = {2041-1723}, DOI = {10.1038/s41467-019-13409-6}, url = {https://doi.org/10.1038/s41467-019-13409-6}, year = {2019}, Dataset availability = {Ursula Keller (https://doi.org/10.3929/ethz-b-000406221) NCCR projects involved: Keller Responsible person: Keller URL: https://doi.org/10.3929/ethz-b-000406221}, type = {Journal Article} } @article{RN201, author = {Windsor, Y. W. and Ramakrishnan, M. and Rettig, L. and Alberca, A. and Lippert, T. and Schneider, C. W. and Staub, U.}, title = {Multiple magnetic ordering phenomena in multiferroic o-HoMnO3}, journal = {Phys. Rev. B}, volume = {102}, number = {21}, ISSN = {2469-9950}, DOI = {10.1103/PhysRevB.102.214423}, url = {https://journals.aps.org/prb/abstract/10.1103/PhysRevB.102.214423}, year = {2020}, type = {Journal Article} } @article{RN202, author = {Xu, Z. H. and Meuwly, M.}, title = {Multistate Reactive Molecular Dynamics Simulations of Proton Diffusion in Water Clusters and in the Bulk}, journal = {J. Phys. Chem. B}, volume = {123}, number = {46}, pages = {9846-9861}, ISSN = {1520-6106}, DOI = {10.1021/acs.jpcb.9b03258}, url = {https://doi.org/10.1021/acs.jpcb.9b03258}, year = {2019}, Dataset availability = {Markus Meuwly (https://www.charmm.org/), please inquire for input data}, type = {Journal Article} } @article{RN203, author = {Yang, C. J. and Pal, S. and Zamani, F. and Kliemt, K. and Krellner, C. and Stockert, O. and Lohneysen, H. V. and Kroha, J. and Fiebig, M.}, title = {Terahertz conductivity of heavy-fermion systems from time-resolved spectroscopy}, journal = {Phys. Rev. Res.}, volume = {2}, number = {3}, DOI = {10.1103/PhysRevResearch.2.033296}, url = {https://doi.org/10.1103/PhysRevResearch.2.033296}, year = {2020}, Dataset availability = {suppl. data: https://doi.org/10.3929/ethz-b-000457268}, type = {Journal Article} } @article{RN204, author = {Yin, Z. and Luu, T. T. and Wörner, H. J.}, title = {Few-cycle high-harmonic generation in liquids: in-operando thickness measurement of flat microjets}, journal = {J. Phys. Photon.}, volume = {2}, number = {4}, ISSN = {2515-7647}, DOI = {10.1088/2515-7647/abb0ef}, url = {https://iopscience.iop.org/article/10.1088/2515-7647/abb0ef/meta}, year = {2020}, type = {Journal Article} } @article{RN205, author = {Zhong, Yufei and Causa, Martina and Moore, Gareth John and Krauspe, Philipp and Xiao, Bo and Günther, Florian and Kublitski, Jonas and Shivhare, Rishi and Benduhn, Johannes and BarOr, Eyal and Mukherjee, Subhrangsu and Yallum, Kaila M. and Réhault, Julien and Mannsfeld, Stefan C. B. and Neher, Dieter and Richter, Lee J. and DeLongchamp, Dean M. and Ortmann, Frank and Vandewal, Koen and Zhou, Erjun and Banerji, Natalie}, title = {Sub-picosecond charge-transfer at near-zero driving force in polymer:non-fullerene acceptor blends and bilayers}, journal = {Nature Commun.}, volume = {11}, number = {1}, pages = {833}, ISSN = {2041-1723}, DOI = {10.1038/s41467-020-14549-w}, url = {https://doi.org/10.1038/s41467-020-14549-w}, year = {2020}, Dataset availability = {Data related to "Sub-picosecond charge-transfer at near-zero driving force in polymer:non-fullerene acceptor blends and bilayers", Nature Communications (2020), DOI 10.1038/s41467-020-14549-w 10.7892/boris.139648 Natalie Banerji https://boris.unibe.ch/id/eprint/139648}, type = {Journal Article} } @article{RN206, author = {Zhou, P. and Aschauer, U. and Decurtins, S. and Feurer, T. and Häner, R. and Liu, S. X.}, title = {Chemical control of photoinduced charge-transfer direction in a tetrathiafulvalene-fused dipyrrolylquinoxaline difluoroborate dyad}, journal = {Chem. Commun.}, volume = {56}, number = {87}, pages = {13421-13424}, ISSN = {1359-7345}, DOI = {10.1039/d0cc05736c}, url = {https://doi.org/10.1039/D0CC05736C}, year = {2020}, type = {Journal Article} } @article{RN207, author = {Zinchenko, Kristina S. and Ardana-Lamas, Fernando and Seidu, Issaka and Neville, Simon P. and van der Veen, Joscelyn and Lanfaloni, Valentina Utrio and Schuurman, Michael S. and Wörner, Hans Jakob}, title = {Sub-7-femtosecond conical-intersection dynamics probed at the carbon K-edge}, journal = {Science}, volume = {371}, number = {6528}, pages = {489}, DOI = {10.1126/science.abf1656}, url = {http://science.sciencemag.org/content/371/6528/489.abstract}, year = {2021}, Dataset availability = {Kristina Zinchenko, Hans Jakob Wörner (https://zenodo.org/record/4293679#.YEdwPOYo-L8) }, type = {Journal Article} }