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 L - Z

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LaForge, A.C., Michiels, R., Ovcharenko, Y., Ngai, A., Escartin, J.M., Berrah, N., Callegari, C., Clark, A., Coreno, M., Cucini, R., Di Fraia, M., Drabbels, M., Fasshauer, E., Finetti, P., Giannessi, L., Grazioli, C., Iablonskyi, D., Langbehn, B., Nishiyama, T., Oliver, V., Piseri, P., Plekan, O., Prince, K.C., Rupp, D., Stranges, S., Ueda, K., Sisourat, N., Eloranta, J., Pi, M., Barranco, M., Stienkemeier, F., Moller, T., and Mudrich, M. (2021). Ultrafast Resonant Interatomic Coulombic Decay Induced by Quantum Fluid Dynamics. Phys Rev X 11. (10.1103/PhysRevX.11.021011)

Longetti, L., Barillot, T.R., Puppin, M., Ojeda, J., Poletto, L., van Mourik, F., Arrell, C.A., and Chergui, M. (2021). Ultrafast photoelectron spectroscopy of photoexcited aqueous ferrioxalate. Phys Chem Chem Phys 23, 25308-25316 (10.1039/D1CP02872C)

Luu, T.T., and Wörner, H.J. (2021). Generation of circularly polarized extreme-ultraviolet harmonics from solids. Eur Phys J Spec Top. (10.1140/epjs/s11734-021-00278-8)

Maklar, J., Windsor, Y.W., Nicholson, C.W., Puppin, M., Walmsley, P., Esposito, V., Porer, M., Rittmann, J., Leuenberger, D., Kubli, M., Savoini, M., Abreu, E., Johnson, S.L., Beaud, P., Ingold, G., Staub, U., Fisher, I.R., Ernstorfer, R., Wolf, M., and Rettig, L. (2021). Nonequilibrium charge-density-wave order beyond the thermal limit. Nature Commun 12, 2499 (10.1038/s41467-021-22778-w)

Mankowsky, R., Sander, M., Zerdane, S., Vonka, J., Bartkowiak, M., Deng, Y.P., Winkler, R., Giorgianni, F., Matmon, G., Gerber, S., Beaud, P., and Lemke, H.T. (2021). New insights into correlated materials in the time domain-combining far-infrared excitation with x-ray probes at cryogenic temperatures. J Phys Condens Matter 33. (10.1088/1361-648x/ac08b5)

Mannouch, J.R., and Richardson, J.O. (2021). A partially linearized spin-mapping approach for simulating nonlinear optical spectra. J Chem Phys 156, 024108 (10.1063/5.0077744)

Mardegan, J.R.L., Zerdane, S., Mancini, G., Esposito, V., Rouxel, J.R., Mankowsky, R., Svetina, C., Gurung, N., Parchenko, S., Porer, M., Burganov, B., Deng, Y.P., Beaud, P., Ingold, G., Pedrini, B., Arrell, C., Erny, C., Dax, A., Lemke, H., Decker, M., Ortiz, N., Milne, C., Smolentsev, G., Maurel, L., Johnson, S.L., Mitsuda, A., Wada, H., Yokoyama, Y., Wadati, H., and Staub, U. (2021). Ultrafast electron localization in the EuNi2(Si0.21Ge0.79)(2) correlated metal. Phys Rev Res 3. (10.1103/PhysRevResearch.3.033211)

Mariette, C., Lorenc, M., Cailleau, H., Collet, E., Guérin, L., Volte, A., Trzop, E., Bertoni, R., Dong, X., Lépine, B., Hernandez, O., Janod, E., Cario, L., Ta Phuoc, V., Ohkoshi, S., Tokoro, H., Patthey, L., Babic, A., Usov, I., Ozerov, D., Sala, L., Ebner, S., Böhler, P., Keller, A., Oggenfuss, A., Zmofing, T., Redford, S., Vetter, S., Follath, R., Juranic, P., Schreiber, A., Beaud, P., Esposito, V., Deng, Y., Ingold, G., Chergui, M., Mancini, G.F., Mankowsky, R., Svetina, C., Zerdane, S., Mozzanica, A., Bosak, A., Wulff, M., Levantino, M., Lemke, H., and Cammarata, M. (2021). Strain wave pathway to semiconductor-to-metal transition revealed by time-resolved X-ray powder diffraction. Nature Commun 12, 1239. (10.1038/s41467-021-21316-y) Marco Cammarata; Céline Mariette (

Markmann, S., Franckie, M., Pal, S., Stark, D., Beck, M., Fiebig, M., Scalari, G., and Faist, J. (2021). Two-dimensional spectroscopy on a THz quantum cascade structure. Nanophotonics 10, 171-180 (10.1515/nanoph-2020-0369)  (

Maurer, J., and Keller, U. (2021). Ionization in intense laser fields beyond the electric dipole approximation: concepts, methods, achievements and future directions. J Phys B: At Mol Opt Phys 54. (10.1088/1361-6455/abf731)

Meuwly, M. (2021). Machine Learning for Chemical Reactions. Chem Rev 121, 10218-10239 (10.1021/acs.chemrev.1c00033)

Mewes, L., Ingle, R.A., Al Haddad, A., and Chergui, M. (2021). Broadband visible two-dimensional spectroscopy of molecular dyes. J Chem Phys 155 (10.1063/5.0053554)

Misawa, R., Ueda, H., Kimura, K., Tanaka, Y., and Kimura, T. (2021a). Chirality and magnetic quadrupole order in Pb(TiO)Cu4(PO4)4 probed by interference scattering in resonant x-ray diffraction. Phys Rev B 103, 174409. (10.1103/PhysRevB.103.174409) (Staub, U.)

Mishra, A., Ahlawat, P., Fish, G.C., Jahanbakhshi, F., Mladenovic, M., Almalki, M., Ruiz-Preciado, M.A., Gelvez-Rueda, M.C., Kubicki, D.J., Schouwink, P.A., Dufoulon, V., Schneeberger, T., Aslanzadeh, A., Grozema, F.C., Zakeeruddin, S.M., Moser, J.E., Röthlisberger, U., Emsley, L., Milic, J.V., and Grätzel, M. (2021). Naphthalenediimide/Formamidinium-Based Low-Dimensional Perovskites. Chem Mat 33, 6412-6420 (10.1021/acs.chemmater.1c01635)

Mkhitaryan, V., Dias, E.J.C., Carbone, F., and García de Abajo, F.J. (2021). Ultrafast Momentum-Resolved Free-Electron Probing of Optically Pumped Plasmon Thermal Dynamics. ACS Photonics 8, 614-624 (10.1021/acsphotonics.0c01758)

Mondal, P., Cazade, P.A., Das, A.K., Bereau, T., and Meuwly, M. (2021). Multipolar Force Fields for Amide-I Spectroscopy from Conformational Dynamics of the Alanine Trimer. J Phys Chem B 125, 10928-10938 (10.1021/acs.jpcb.1c05423)

Nass, K., Bacellar, C., Cirelli, C., Dworkowski, F., Gevorkov, Y., James, D., Johnson, P.J.M., Kekilli, D., Knopp, G., Martiel, I., Ozerov, D., Tolstikova, A., Vera, L., Weinert, T., Yefanov, O., Standfuss, J., Reiche, S., and Milne, C.J. (2021). Pink-beam serial femtosecond crystallography for accurate structure-factor determination at an X-ray free-electron laser. IUCrJ 8, 905-920. (10.1107/S2052252521008046)

Neugebauer, M.J., Juraschek, D.M., Savoini, M., Engeler, P., Boie, L., Abreu, E., Spaldin, N.A., and Johnson, S.L. (2021). Comparison of coherent phonon generation by electronic and ionic Raman scattering in LaAlO3. Phys Rev Res 3, 013126. (10.1103/PhysRevResearch.3.013126) Martin Neugebauer, Steve Johnson (

Niozu, A., Kumagai, Y., Fukuzawa, H., Yokono, N., You, D., Saito, S., Luo, Y., Kukk, E., Cirelli, C., Rist, J., Vela-Pérez, I., Kameshima, T., Joti, Y., Motomura, K., Togashi, T., Owada, S., Katayama, T., Tono, K., Yabashi, M., Young, L., Matsuda, K., Bostedt, C., Ueda, K., and Nagaya, K. (2021a). Relation between Inner Structural Dynamics and Ion Dynamics of Laser-Heated Nanoparticles. Phys Rev X 11, 031046 (10.1103/PhysRevX.11.031046)

Niozu, A., Kumagai, Y., Hiraki, T.N., Fukuzawa, H., Motomura, K., Bucher, M., Asa, K., Sato, Y., Ito, Y., You, D., Ono, T., Li, Y., Kukk, E., Miron, C., Neagu, L., Callegari, C., Di Fraia, M., Rossi, G., Galli, D.E., Pincelli, T., Colombo, A., Owada, S., Tono, K., Kameshima, T., Joti, Y., Katayama, T., Togashi, T., Yabashi, M., Matsuda, K., Bostedt, C., Ueda, K., and Nagaya, K. (2021). Crystallization kinetics of atomic crystals revealed by a single-shot and single-particle X-ray diffraction experiment. Proc Natl Acad Sci USA 118, e2111747118 ()

Ortiz Hernández, N., Parchenko, S., Mardegan, J.R.L., Porer, M., Schierle, E., Weschke, E., Ramakrishnan, M., Radovic, M., Heuver, J.A., Noheda, B., Daffé, N., Dreiser, J., Ueda, H., and Staub, U. (2021). Magnetic field dependent cycloidal rotation in pristine and Ge-doped CoCr2O4. Phys Rev B 103, 085123 (10.1103/PhysRevB.103.085123), dataset: 10.16907%2Fc15020ae-6c45-41ba-9131-d0ff87bd7010

Pal, S., Strkalj, N., Yang, C.J., Weber, M.C., Trassin, M., Wörner, M., and Fiebig, M. (2021). Origin of Terahertz Soft-Mode Nonlinearities in Ferroelectric Perovskites. Phys Rev X 11 (10.1103/PhysRevX.11.021023)

Pashaki, M.N.H., Choi, T.K., Rohwer, E.J., Feurer, T., Duhme-Klair, A.K., Gawelda, W., and Cannizzo, A. (2021a). Unveiling the origin of photo-induced enhancement of oxidation catalysis at Mo(vi) centres of Ru(ii)-Mo(vi) dyads. Chem Commun 57, 4142-4145 (10.1039/D1CC00750E)

Pashaki, M.N.H., Mosimann-Schonbachler, N., Riede, A., Gazzetto, M., Rondi, A., and Cannizzo, A. (2021b). Two-dimensional ultrafast transient absorption spectrograph covering deep-ultraviolet to visible spectral region optimized for biomolecules. J Phys Photon 3. (10.1088/2515-7647/ac0805)

Pathak, H., Späh, A., Esmaeildoost, N., Sellberg, J.A., Kim, K.H., Perakis, F., Amann-Winkel, K., Ladd-Parada, M., Koliyadu, J., Lane, T.J., Yang, C., Lemke, H.T., Oggenfuss, A.R., Johnson, P.J.M., Deng, Y., Zerdane, S., Mankowsky, R., Beaud, P., and Nilsson, A. (2021). Enhancement and maximum in the isobaric specific-heat capacity measurements of deeply supercooled water using ultrafast calorimetry. Proc Natl Acad Sci USA 118, e2018379118. ()

Perry, C.F., Jordan, I., Zhang, P., von Conta, A., Nunes, F.B., and Wörner, H.J. (2021). Photoelectron Spectroscopy of Liquid Water with Tunable Extreme-Ultraviolet Radiation: Effects of Electron Scattering. J Phys Chem Lett 12, 2990-2996 (10.1021/acs.jpclett.0c03424)

Rebetez, G., Bardagot, O., Affolter, J., Réhault, J., and Banerji, N. (2021). What Drives the Kinetics and Doping Level in the Electrochemical Reactions of PEDOT:PSS? Adv Func Mat n/a, 2105821 (10.1002/adfm.202105821)

Ricca, C., Grad, L., Hengsberger, M., Osterwalder, J., and Aschauer, U. (2021). Importance of surface oxygen vacancies for ultrafast hot carrier relaxation and transport in Cu2O. Phys Rev Res 3, 043219 (10.1103/PhysRevResearch.3.043219)

Rivero, U., Turan, H.T., Meuwly, M., and Willitsch, S. (2021). 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. Mol Phys 119, e1825852 (10.1080/00268976.2020.1825852)

Rohwer, E.J., Geng, Y., Akbarimoosavi, M., Daku, L.M.L., Aleveque, O., Levillain, E., Hauser, J., Cannizzo, A., Häner, R., Decurtins, S., Stanley, R.J., Feurer, T., and Liu, S.-X. (2021). Optically Controlled Electron Transfer in a ReI Complex. Chem Eur J 27, 5399. (10.1002/chem.202005125)

Roulet, J., and Vaníček, J. (2021). An implicit split-operator algorithm for the nonlinear time-dependent Schrödinger equation. J Chem Phys 155, 204109. (10.1063/5.0071153)

Roulet, J., and Vaníček, J. (2021). Time-reversible and norm-conserving high-order integrators for the nonlinear time-dependent Schrödinger equation: Application to local control theory. J Chem Phys 154, 154106. (10.1063/5.0050071)

Rouxel, J.R., Fainozzi, D., Mankowsky, R., Rösner, B., Seniutinas, G., Mincigrucci, R., Catalini, S., Foglia, L., Cucini, R., Döring, F., Kubec, A., Koch, F., Bencivenga, F., Haddad, A.A., Gessini, A., Maznev, A.A., Cirelli, C., Gerber, S., Pedrini, B., Mancini, G.F., Razzoli, E., Burian, M., Ueda, H., Pamfilidis, G., Ferrari, E., Deng, Y., Mozzanica, A., Johnson, P.J.M., Ozerov, D., Izzo, M.G., Bottari, C., Arrell, C., Divall, E.J., Zerdane, S., Sander, M., Knopp, G., Beaud, P., Lemke, H.T., Milne, C.J., David, C., Torre, R., Chergui, M., Nelson, K.A., Masciovecchio, C., Staub, U., Patthey, L., and Svetina, C. (2021). Hard X-ray transient grating spectroscopy on bismuth germanate. Nature Photon. 15pages 499–503 (10.1038/s41566-021-00797-9)

Ruf, J., Hamm, P., and Buhrke, D. (2021). Needles in a haystack: H-bonding in an optogenetic protein observed with isotope labeling and 2D-IR spectroscopy. Phys Chem Chem Phys 23, 10267-10273 (10.1039/D1CP00996F)

Runeson, J.E., and Richardson, J.O. (2021). Quantum Entanglement from Classical Trajectories. Phys Rev Lett 127, 250403. (10.1103/PhysRevLett.127.250403)

Saladrigas, C.A., Feinberg, A.J., Ziemkiewicz, M.P., Bacellar, C., Bucher, M., Bernando, C., Carron, S., Chatterley, A.S., Decker, F.-J., Ferguson, K.R., Gomez, L., Gorkhover, T., Helvy, N.A., Jones, C.F., Kwok, J.J., Lutman, A., Rupp, D., Tanyag, R.M.P., Möller, T., Neumark, D.M., Bostedt, C., Vilesov, A.F., and Gessner, O. (2021). Charging and ion ejection dynamics of large helium nanodroplets exposed to intense femtosecond soft X-ray pulses. Eur Phys J Spec Top. (10.1140/epjs/s11734-021-00280-0)

Salehi, S.M., and Meuwly, M. (2021). Site-selective dynamics of azidolysozyme. J Chem Phys 154 (10.1063/5.0047330)

Shalit, A., Mousavi, S.J., and Hamm, P. (2021). 2D Raman–THz Spectroscopy of Binary CHBr3–MeOH Solvent Mixture. J Phys Chem B 125, 581-586. (10.1021/acs.jpcb.0c08962), dataset:

Shivhare, R., Moore, G.J., Hofacker, A., Hutsch, S., Zhong, Y., Hambsch, M., Erdmann, T., Kiriy, A., Mannsfeld, S.C.B., Ortmann, F., and Banerji, N. (2021). Short Excited-State Lifetimes Mediate Charge-Recombination Losses in Organic Solar Cell Blends with Low Charge-Transfer Driving Force. Adv Mater n/a, 2101784. (10.1002/adma.202101784)

Socie, E., Vale, B.R.C., Burgos-Caminal, A., and Moser, J.E. (2021). Direct Observation of Shallow Trap States in Thermal Equilibrium with Band-Edge Excitons in Strongly Confined CsPbBr3 Perovskite Nanoplatelets. Adv Opt Mater 9. (10.1002/adom.202001308), dataset:

Socie, E., Vale, B.R.C., Terpstra, A.T., Schiavon, M.A., and Moser, J.-E. (2021). Resonant Band-Edge Emissive States in Strongly Confined CsPbBr3 Perovskite Nanoplatelets. J Phys Chem C 125, 14317-14325 (10.1021/acs.jpcc.1c01353)

Svoboda, V., Yin, Z., Luu, T.T., and Wörner, H.J. (2021). Polarization measurements of deep- to extreme-ultraviolet high harmonics generated in liquid flat sheets. Optics Express 29, 30799-30808 (10.1364/OE.433849)

Tsokkou, D., Cheng, C.-Y., Krainova, N., Mukhopadhyay, S., Giebink, N.C., and Banerji, N. (2021). Ultrafast Charge Transfer Dynamics at the Origin of Photoconductivity in Doped Organic Solids. J Phys Chem C 125, 7086-7096. (10.1021/acs.jpcc.1c01990)

Turan, H.T., and Meuwly, M. (2021). Spectroscopy, Dynamics, and Hydration of S-Nitrosylated Myoglobin. J Phys Chem B. (10.1021/acs.jpcb.0c10353) Markus Meuwly (,

Ueda, H., Porer, M., Mardegan, J.R.L., Parchenko, S., Gurung, N., Fabrizi, F., Ramakrishnan, M., Boie, L., Neugebauer, M.J., Burganov, B., Burian, M., Johnson, S.L., Rossnagel, K., and Staub, U. (2021). Correlation between electronic and structural orders in 1T−TiSe2. Phys Rev Res 3, L022003. (10.1103/PhysRevResearch.3.L022003)

Upadhyay, M., and Meuwly, M. (2021). Thermal and Vibrationally Activated Decomposition of the syn-CH3CHOO Criegee Intermediate. ACS Earth Space Chem 5, 3396-3406 (10.1021/acsearthspacechem.1c00249)

Upadhyay, M., Pezzella, M., and Meuwly, M. (2021). Genesis of Polyatomic Molecules in Dark Clouds: CO2 Formation on Cold Amorphous Solid Water. J Chem Phys Lett 12, 6781-6787 (10.1021/acs.jpclett.1c01810)

Vazquez-Salazar, L.I., Boittier, E.D., Unke, O.T., and Meuwly, M. (2021). Impact of the Characteristics of Quantum Chemical Databases on Machine Learning Prediction of Tautomerization Energies. J Chem Theory Comput 17, 4769-4785. (10.1021/acs.jctc.1c00363)

Veliz, J.C.S., Koner, D., Schwilk, M., Bemish, R.J., and Meuwly, M. (2021). The N(4S) + O2(X3Sigma) O(3P) + NO(X2Pi) reaction: thermal and vibrational relaxation rates from 15 K to 20 000 K. Phys Chem Chem Phys 23, 11251-11263 (10.1039/D1CP01101D)

Weigand, H., Vogler-Neuling, V.V., Escale, M.R., Pohl, D., Richter, F.U., Karvounis, A., Timpu, F., and Grange, R. (2021). Enhanced Electro-Optic Modulation in Resonant Metasurfaces of Lithium Niobate. ACS Photon 8, 3004-3009 (10.1021/acsphotonics.1c00935)

Wornle, M.S., Welter, P., Giraldo, M., Lottermoser, T., Fiebig, M., Gambardella, P., and Degen, C.L. (2021). Coexistence of Bloch and Neel walls in a collinear antiferromagnet. Phys Rev B 103 (10.1103/PhysRevB.103.094426)

Xie, X., Deng, Y., and Johnson, S.L. (2021). Compact and robust supercontinuum generation and post-compression using multiple thin plates. High Power Laser Sci Engin 9, e66. (10.1017/hpl.2021.53)

Yang, C.J., Li, J.W., Lehmann, J., Strkalj, N., Trassin, M., Fiebig, M., and Pal, S. (2021). Birefringence of orthorhombic DyScO3: Toward a terahertz quarter-wave plate. Appl Phys Lett 118. (10.1063/5.0043216)

Zhang, D., Stojanovic, M., Ren, Y., Cao, Y., Eickemeyer, F.T., Socie, E., Vlachopoulos, N., Moser, J.-E., Zakeeruddin, S.M., Hagfeldt, A., and Grätzel, M. (2021a). A molecular photosensitizer achieves a Voc of 1.24 V enabling highly efficient and stable dye-sensitized solar cells with copper(II/I)-based electrolyte. Nature Commun 12, 1777 (10.1038/s41467-021-21945-3)

Zhang, H., Eickemeyer, F.T., Zhou, Z.W., Jahanbakhshi, F., Merten, L., Hinderhofer, A., Hope, M.A., Ouellette, O., Mishra, A., Ahlawat, P., Ren, D., Su, T.S., Krishna, A., Wang, Z.W., Dong, Z.W., Guo, J.M., Zakeeruddin, S.M., Schreiber, F., Hagfeldt, A., Emsley, L., Röthlisberger, U., Milic, J.V., Grätzel, M., and Mladenovic, M. (2021b). Multimodal host-guest complexation for efficient and stable perovskite photovoltaics. Nat Commun 12. (10.1038/s41467-021-23566-2)

Zhou, P., Aschauer, U., Decurtins, S., Feurer, T., Häner, R., and Liu, S.X. (2021). Effect of tert-butyl groups on electronic communication between redox units in tetrathiafulvalene-tetraazapyrene triads. Chem Commun 57, 12972-12975 (10.1039/D1CC05671A)

Zinchenko, K.S., Ardana-Lamas, F., Seidu, I., Neville, S.P., van der Veen, J., Lanfaloni, V.U., Schuurman, M.S., and Wörner, H.J. (2021). Sub-7-femtosecond conical-intersection dynamics probed at the carbon K-edge. Science 371, 489 (10.1126/science.abf1656) (
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