Ursula Keller wins “Swiss Nobel” Marcel Benoist Prize- for pioneering work in ultrafast lasers
MUST2022 Conference- a great success!
New scientific highlights- by MUST PIs Wörner, Chergui, and Richardson
FELs of Europe prize for Jeremy Rouxel- “Development or innovative use of advanced instrumentation in the field of FELs”
Ruth Signorell wins Doron prizefor pioneering contributions to the field of fundamental aerosol science
New FAST-Fellow Uwe Thumm at ETH- lectures on Topics in Femto- and Attosecond Science
International Day of Women and Girls in Science- SSPh asked female scientists about their experiences
New scientific highlight- by MUST PIs Milne, Standfuss and Schertler
EU XFEL Young Scientist Award for Camila Bacellar,beamline scientist and group leader of the Alvra endstation at SwissFEL
Prizes for Giulia Mancini and Rebeca Gomez CastilloICO/IUPAP Young Scientist Prize in Optics & Ernst Haber 2021
Nobel Prize in Chemistry awarded to RESOLV Member Benjamin List- for the development of asymmetric organocatalysis
NCCR MUST at Scientifica 2021- Lightning, organic solar cells, and virtual molecules

Research publications 2021 A - L

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Abela, R., Abreu, E., Cavalieri, A.L., van Daalen, M., Feurer, T., and Staub, U. (2021). Photon Science Roadmap for Research Infrastructures 2025–2028 by the Swiss Photon Community. In Swiss Academies Reports 16, 5 (

Ahlawat, P., Hinderhofer, A., Alharbi, E.A., Lu, H.Z., Ummadisingu, A., Niu, H.Y., Invernizzi, M., Zakeeruddin, S.M., Dar, M.I., Schreiber, F., Hagfeldt, A., Grätzel, M., Röthlisberger, U., and Parrinello, M. (2021). A combined molecular dynamics and experimental study of two-step process enabling low-temperature formation of phase-pure alpha-FAPbI(3). Sci Adv 7. (10.1126/sciadv.abe3326)

Alharbi, E.A., Krishna, A., Baumeler, T.P., Dankl, M., Fish, G.C., Eickemeyer, F., Ouellette, O., Ahlawat, P., Skorjanc, V., John, E., Yang, B.W., Pfeifer, L., Avalos, C.E., Pan, L.F., Mensi, M., Schouwink, P.A., Moser, J.E., Hagfeldt, A., Röthlisberger, U., Zakeeruddin, S.M., and Grätzel, M. (2021). Methylammonium Triiodide for Defect Engineering of High-Efficiency Perovskite Solar Cells. ACS Energ Lett 6, 3650-3660 (10.1021/acsenergylett.1c01754)

Arnold, J., San Vicente Veliz, J.C., Koner, D., Singh, N., Bemish, R.J., and Meuwly, M. (2021). Machine learning product state distributions from initial reactant states for a reactive atom–diatom collision system. J Chem Phys 156, 034301 (10.1063/5.0078008)

Bacellar, C., Kinschel, D., Cannelli, O., Sorokin, B., Katayama, T., Mancini, G.F., Rouxel, J.R., Obara, Y., Nishitani, J., Ito, H., Ito, T., Kurahashi, N., Higashimura, C., Kudo, S., Cirelli, C., Knopp, G., Nass, K., Johnson, P.J.M., Wach, A., Szlachetko, J., Lima, F.A., Milne, C.J., Yabashi, M., Suzuki, T., Misawa, K., and Chergui, M. (2021). Femtosecond X-ray spectroscopy of haem proteins. Faraday Disc. (10.1039/D0FD00131G)  (

Ban, L.R., Yoder, B.L., and Signorell, R. (2021). Size-Resolved Electron Solvation in Neutral Water Clusters. J Phys Chem A 125, 5326-5334. (10.1021/acs.jpca.1c03631)

Baudin, P., Mouvet, F., and Röthlisberger, U. (2021). A multiple time step algorithm for trajectory surface hopping simulations. J Chem Phys 156, 034107. (10.1063/5.0065728)

Baykusheva, D., and Wörner, H.J. (2021). Chapter 4 - Attosecond Molecular Dynamics and Spectroscopy. In Molecular Spectroscopy and Quantum Dynamics, R. Marquardt, and M. Quack, eds. (Elsevier), pp. 113-161.

Begusic, T., and Vanicek, J. (2021a). Efficient Semiclassical Dynamics for Vibronic Spectroscopy beyond Harmonic, Condon, and Zero-Temperature Approximations. Chimia 75, 261-266. (10.2533/chimia.2021.261)

Begusic, T., and Vanicek, J. (2021b). Finite-Temperature, Anharmonicity, and Duschinsky Effects on the Two-Dimensional Electronic Spectra from Ab Initio Thermo-Field Gaussian Wavepacket Dynamics. J Phys Chem Lett 12, 2997-3005. (10.1021/acs.jpclett.1c00123)

Bolnykh, V., Röthlisberger, U., and Carloni, P. (2021). Expanding the boundaries of ligand–target modeling by exascale calculations. WIREs Comput Mol Sci 2021, e1535 ( 10.1002/wcms.1535)

Boziki, A., Dar, M.I., Jacopin, G., Grätzel, M., and Röthlisberger, U. (2021a). Molecular Origin of the Asymmetric Photoluminescence Spectra of CsPbBr3 at Low Temperature. J Phys Chem Lett, 2699-2704 (10.1021/acs.jpclett.1c00263) (

Boziki, A., Dar, M.I., Jacopin, G., Grätzel, M., and Röthlisberger, U. (2021b). Molecular Origin of the Asymmetric Photoluminescence Spectra of CsPbBr3 at Low Temperature. J Phys Chem Lett 12, 2699-2704. (10.1021/acs.jpclett.1c00263)

Bozovic, O., Jankovic, B., and Hamm, P. (2021a). Using azobenzene photocontrol to set proteins in motion. Nature Rev Chem. (

Bozovic, O., Ruf, J., Zanobini, C., Jankovic, B., Buhrke, D., Johnson, P.J.M., and Hamm, P. (2021b). The Speed of Allosteric Signaling Within a Single-Domain Protein. J Phys Chem Lett 12, 4262-4267 (10.1021/acs.jpclett.1c00915)

Buhrke, D., Ruf, J., Heckmeier, P., and Hamm, P. (2021). A stop-flow sample delivery system for transient spectroscopy. Rev Sci Instrum 92 (10.1063/5.0068227)

Burgos-Caminal, A., Moreno-Naranjo, J.M., Willauer, A.R., Paraecattil, A.A., Ajdarzadeh, A., and Moser, J.-E. (2021). Hot Carrier Mobility Dynamics Unravel Competing Subpicosecond Processes in Lead Halide Perovskites. J Phys Chem C 125, 98-106. (10.1021/acs.jpcc.0c08492)  (

Burian, M., Pedrini, B.F., Ortiz Hernandez, N., Ueda, H., Vaz, C.A.F., Caputo, M., Radovic, M., and Staub, U. (2021a). Buried moiré supercells through SrTiO3 nanolayer relaxation. Phys Rev Res 3, 013225. (10.1103/PhysRevResearch.3.013225)

Burian, M., Porer, M., Mardegan, J.R.L., Esposito, V., Parchenko, S., Burganov, B., Gurung, N., Ramakrishnan, M., Scagnoli, V., Ueda, H., Francoual, S., Fabrizi, F., Tanaka, Y., Togashi, T., Kubota, Y., Yabashi, M., Rossnagel, K., Johnson, S.L., and Staub, U. (2021b). Structural involvement in the melting of the charge density wave in 1T−TiSe2. Phys Rev Research 3, 013128. (10.1103/PhysRevResearch.3.013128) (

Cannelli, O., Colonna, N., Puppin, M., Rossi, T.C., Kinschel, D., Leroy, L.M.D., Loffler, J., Budarz, J.M., March, A.M., Doumy, G., Al Haddad, A., Tu, M.F., Kumagai, Y., Walko, D., Smolentsev, G., Krieg, F., Boehme, S.C., Kovalenko, M.V., Chergui, M., and Mancini, G.F. (2021). Quantifying Photoinduced Polaronic Distortions in Inorganic Lead Halide Perovskite Nanocrystals. J Am Chem Soc 143, 9048-9059 (10.1021/jacs.1c02403)

Chevreuil, P.A., Brunner, F., Hrisafov, S., Pupeikis, J., Phillips, C.R., Keller, U., and Gallmann, L. (2021). Water-window high harmonic generation with 0.8-mu m and 2.2-mu m OPCPAs at 100 kHz. Opt Express 29, 32996-33008. 10.1364/OE.440273)

Choi, S., and Vaníček, J. (2021). High-order geometric integrators for representation-free Ehrenfest dynamics. J Chem Phys 155, 124104 (10.1063/5.0061878)

Dingilian, K.K., Lippe, M., Kubecka, J., Krohn, J., Li, C.X., Halonen, R., Keshavarz, F., Reischl, B., Kurten, T., Vehkamaki, H., Signorell, R., and Wyslouzil, B.E. (2021). New Particle Formation from the Vapor Phase: From Barrier-Controlled Nucleation to the Collisional Limit. J Phys Chem Lett 12, 4593-4599 (10.1021/acs.jpclett.1c00762)

Diulus, J.T., Tobler, B., Osterwalder, J., and Novotny, Z. (2021). Thermal oxidation of Ru(0001) to RuO2(110) studied with ambient pressure x-ray photoelectron spectroscopy. J Phys D: Appl Phys 54, 244001 (10.1088/1361-6463/abedfd)

Duchi, M., Shukla, S., Shalit, A., and Hamm, P. (2021). 2D-Raman-THz spectroscopy with single-shot THz detection. J Chem Phys 155 (10.1063/5.0065804)

Dučinskas, A., Fish, G.C., Hope, M.A., Merten, L., Moia, D., Hinderhofer, A., Carbone, L.C., Moser, J.E., Schreiber, F., Maier, J., Milic, J.V., and Grätzel, M. (2021). The Role of Alkyl Chain Length and Halide Counter Ion in Layered Dion-Jacobson Perovskites with Aromatic Spacers. J Phys Chem Lett 12, 10325-10332 (10.1021/acs.jpclett.1c02937)

Esmaeildoost, N., Pathak, H., Späh, A., Lane, T.J., Kim, K.H., Yang, C., Amann-Winkel, K., Ladd-Parada, M., Perakis, F., Koliyadu, J., Oggenfuss, A.R., Johnson, P.J.M., Deng, Y., Zerdane, S., Mankowsky, R., Beaud, P., Lemke, H.T., Nilsson, A., and Sellberg, J.A. (2021). Anomalous temperature dependence of the experimental x-ray structure factor of supercooled water. J Chem Phys 155, 214501 (10.1063/5.0075499)

Fish, G.C., Moreno-Naranjo, J.M., Billion, A., Kratzert, D., Hack, E., Krossing, I., Nuesch, F., and Moser, J.E. (2021). Critical role of H-aggregation for high-efficiency photoinduced charge generation in pristine pentamethine cyanine salts. Phys Chem Chem Phys 23, 23886-23895 (10.1039/D1CP03251H)

Fuchs, J., Douguet, N., Donsa, S., Martín, F., Burgdörfer, J., Argenti, L., Cattaneo, L., and Keller, U. (2021). Towards the complete phase profiling of attosecond wave packets. Phys Rev Res 3, 013195 (10.1103/PhysRevResearch.3.013195) & (10.3929/ethz-b-000400267)

Gao, L., Meiring, J.C.M., Kraus, Y., Wranik, M., Weinert, T., Pritzl, S.D., Bingham, R., Ntouliou, E., Jansen, K.I., Olieric, N., Standfuss, J., Kapitein, L.C., Lohmüller, T., Ahlfeld, J., Akhmanova, A., Steinmetz, M.O., and Thorn-Seshold, O. (2021). A Robust, GFP-Orthogonal Photoswitchable Inhibitor Scaffold Extends Optical Control over the Microtubule Cytoskeleton. Cell Chem Biol 28, 228-241.e226 (10.1016/j.chembiol.2020.11.007)

Gaulier, G., Dietschi, Q., Bhattacharyya, S., Schmidt, C., Montagnese, M., Chauvet, A., Hermelin, S., Chiodini, F., Bonacina, L., Herrera, P.L., Röthlisberger, U., Rodriguez, I., and Wolf, J.P. (2021). Ultrafast pulse shaping modulates perceived visual brightness in living animals. Sci Adv 7. (10.1126/sciadv.abe1911)

Géneaux, R., Chang, H.-T., Schwartzberg, A.M., and Marroux, H.J.B. (2021). Source noise suppression in attosecond transient absorption spectroscopy by edge-pixel referencing. Opt Express 29, 951-960 (10.1364/OE.412117)

Golubev, N.V., Vaníček, J., and Kuleff, A.I. (2021). Core-Valence Attosecond Transient Absorption Spectroscopy of Polyatomic Molecules. Phys Rev Lett 127, 123001 (10.1103/PhysRevLett.127.123001)

Grad, L., von Rohr, F.O., Hengsberger, M., and Osterwalder, J. (2021). Charge carrier dynamics and self-trapping on Sb2S3(100). Phys Rev Mater 5, 075401 (10.1103/PhysRevMaterials.5.075401)

Hamm, P. (2021). Transient 2D IR spectroscopy from micro- to milliseconds. J Chem Phys 154, 104201 (10.1063/5.0045294) Peter Hamm (

Han, M., Ge, P., Wang, J., Guo, Z., Fang, Y., Ma, X., Yu, X., Deng, Y., Wörner, H.J., Gong, Q., and Liu, Y. (2021). Complete characterization of sub-Coulomb-barrier tunnelling with phase-of-phase attoclock. Nature Photon. (10.1038/s41566-021-00842-7)

Haynes, D.C., Wurzer, M., Schletter, A., Al-Haddad, A., Blaga, C., Bostedt, C., Bozek, J., Bromberger, H., Bucher, M., Camper, A., Carron, S., Coffee, R., Costello, J.T., DiMauro, L.F., Ding, Y., Ferguson, K., Grguraš, I., Helml, W., Hoffmann, M.C., Ilchen, M., Jalas, S., Kabachnik, N.M., Kazansky, A.K., Kienberger, R., Maier, A.R., Maxwell, T., Mazza, T., Meyer, M., Park, H., Robinson, J., Roedig, C., Schlarb, H., Singla, R., Tellkamp, F., Walker, P.A., Zhang, K., Doumy, G., Behrens, C., and Cavalieri, A.L. (2021). Clocking Auger electrons. Nature Phys. (10.1038/s41567-020-01111-0)

Heck, S., Baykusheva, D., Han, M., Ji, J.-B., Perry, C., Gong, X., and Wörner, H.J. (2021). Attosecond interferometry of shape resonances in the recoil frame of CF4. Sci Adv 7, eabj8121 (10.1126/sciadv.abj8121)

Hernandez, N.O., Salman, Z., Prokscha, T., Suter, A., Mardegan, J.R.L., Moser, S., Zakharova, A., Piamonteze, C., and Staub, U. (2021). Magnetic order of tetragonal CuO ultrathin films. Phys Rev B 103. (10.1103/PhysRevB.103.224429)

Hope, M.A., Nakamura, T., Ahlawat, P., Mishra, A., Cordova, M., Jahanbakhshi, F., Mladenović, M., Runjhun, R., Merten, L., Hinderhofer, A., Carlsen, B.I., Kubicki, D.J., Gershoni-Poranne, R., Schneeberger, T., Carbone, L.C., Liu, Y., Zakeeruddin, S.M., Lewinski, J., Hagfeldt, A., Schreiber, F., Röthlisberger, U., Grätzel, M., Milić, J.V., and Emsley, L. (2021). Nanoscale Phase Segregation in Supramolecular π-Templating for Hybrid Perovskite Photovoltaics from NMR Crystallography. J Am Chem Soc 143, 1529-1538 (10.1021/jacs.0c11563) Data: (

Jahanbakhshi, F., Mladenovic, M., Dankl, M., Boziki, A., Ahlawat, P., and Röthlisberger, U. (2021). Organic Spacers in 2D Perovskites: General Trends and Structure-Property Relationships from Computational Studies. Helv Chim Acta 104. (10.1002/hlca.202000232)

Jankovic, B., Bozovic, O., and Hamm, P. (2021). Intrinsic Dynamics of Protein-Peptide Unbinding. Biochemistry 60, 1755-1763 (10.1021/acs.biochem.1c00262)

Jankovic, B., Ruf, J., Zanobini, C., Bozovic, O., Buhrke, D., and Hamm, P. (2021). Sequence of Events during Peptide Unbinding from RNase S: A Complete Experimental Description. J Phys Chem Lett 12, 5201-5207 (10.1021/acs.jpclett.1c01155)

Jarnac, A., Jacques, V.L.R., Cario, L., Janod, E., Johnson, S.L., Ravy, S., and Laulhé, C. (2021). Photoinduced charge density wave phase in 1T-TaS2: growth and coarsening mechanisms. Comptes Rendus Physique 22, 139-160 (10.5802/crphys.89)

Jelovina, D., Scrinzi, A., Wörner, H.J., and Schild, A. (2021). Nonlocal mechanisms of attosecond interferometry in three-dimensional systems. J Phys Photon 3. (10.1088/2515-7647/abcd84)

Jeong, J., Kim, M., Seo, J., Lu, H., Ahlawat, P., Mishra, A., Yang, Y., Hope, M.A., Eickemeyer, F.T., Kim, M., Yoon, Y.J., Choi, I.W., Darwich, B.P., Choi, S.J., Jo, Y., Lee, J.H., Walker, B., Zakeeruddin, S.M., Emsley, L., Röthlisberger, U., Hagfeldt, A., Kim, D.S., Grätzel, M., and Kim, J.Y. (2021). Pseudo-halide anion engineering for α-FAPbI3 perovskite solar cells. Nature 592, 381–385 (10.1038/s41586-021-03406-5)

Käser, S., Boittier, E.D., Upadhyay, M., and Meuwly, M. (2021). Transfer Learning to CCSD(T): Accurate Anharmonic Frequencies from Machine Learning Models. J Chem Theory Comput 17, 3687-3699 (10.1021/acs.jctc.1c00249)

Kretz, P., Waltar, K., Geng, Y., Metzger, C., Graus, M., Schöll, A., Reinert, F., Liu, S.-X., Decurtins, S., Hengsberger, M., Osterwalder, J., and Castiglioni, L. (2021). Adsorption geometry and electronic structure of a charge-transfer-complex: TTF-PYZ2 on Ag(110). New J Phys 23, 013002 (10.1088/1367-2630/abcace) Patrick Kretz, Luca castiglioni, Jürg Osterwalder (

Krishna, A., Zhang, H., Zhou, Z.W., Gallet, T., Dankl, M., Ouellette, O., Eickemeyer, F.T., Fu, F., Sanchez, S., Mensi, M., Zakeeruddin, S.M., Röthlisberger, U., Reddy, G.N.M., Redinger, A., Grätzel, M., and Hagfeldt, A. (2021). Nanoscale interfacial engineering enables highly stable and efficient perovskite photovoltaics. Energy Environ Sci 14, 5552-5562 (10.1039/D1EE02454J)
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