Forthcoming Events

26.10.2020 - 28.10.2020, Paul Scherrer Institut (PSI), Villigen,Switzerland

Research publications 2019 L - Z

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Latychevskaia, T., Son, S.K., Yang, Y.P., Chancellor, D., Brown, M., Ozdemir, S., Madan, I., Berruto, G., Carbone, F., Mishchenko, A., and Novoselov, K.S. (2019). Stacking transition in rhombohedral graphite. Frontiers Phys 1413608 (10.1007/s11467-018-0867-y)

Mardegan, J.R.L., Christensen, D.V., Chen, Y.Z., Parchenko, S., Avula, S.R.V., Ortiz-Hernandez, N., Decker, M., Piamonteze, C., Pryds, N., and Staub, U. (2019). Magnetic and electronic properties at the gamma-Al2O3/SrTiO3 interface. Phys Rev B 99, 134423 (10.1103/PhysRevB.99.134423)

Meuwly, M. (2019). Reactive molecular dynamics: From small molecules to proteins. WIREs Comp Mol Sci 9, e1386 (10.1002/wcms.1386)

Nazari, M., Bosch, C.D., Rondi, A., Frances-Monerris, A., Marazzi, M., Lognon, E., Gazzetto, M., Langenegger, S.M., Häner, R., Feurer, T., Monari, A., and Cannizzo, A. (2019). 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. Phys Chem Chem Phys 21, 16981-16988 (10.1039/C9CP03147B)

Neugebauer, M.J., Huber, T., Savoini, M., Abreu, E., Esposito, V., Kubli, M., Rettig, L., Bothschafter, E., Grubel, S., Kubacka, T., Rittmann, J., Ingold, G., Beaud, P., Dominko, D., Demsar, J., and Johnson, S.L. (2019). Optical control of vibrational coherence triggered by an ultrafast phase transition. Phys Rev B 99, 220302 (10.1103/PhysRevB.99.220302)

Olsen, J.M.H., Bolnykh, V., Meloni, S., Ippoliti, E., Bircher, M.P., Carloni, P., and Röthlisberger, U. (2019b). MiMiC: A Novel Framework for Multiscale Modeling in Computational Chemistry. J Chem Theory Comput 15, 3810-3823 (10.1021/acs.jctc.9b00093)

Oppermann, M., Bauer, B., Rossi, T., Zinna, F., Helbing, J., Lacour, J., and Chergui, M. (2019a). Ultrafast broadband circular dichroism in the deep ultraviolet. Optica 6, 56-60 (optica-6-1-56)

Oppermann, M., Spekowius, J., Bauer, B., Pfister, R., Chergui, M., and Helbing, J. (2019b). Broad-Band Ultraviolet CD Spectroscopy of Ultrafast Peptide Backbone Conformational Dynamics. J Phys Chem Lett 10, 2700-2705 (10.1021/acs.jpclett.9b01253)

Pal, S., Wetli, C., Zamani, F., Stockert, O., Löhneysen, H.v., Fiebig, M., and Kroha, J. (2019). Fermi Volume Evolution and Crystal-Field Excitations in Heavy-Fermion Compounds Probed by Time-Domain Terahertz Spectroscopy. Phys Rev Lett122, 096401 (10.1103/PhysRevLett.122.096401)

Pezzella, M., and Meuwly, M. (2019b). O2 formation in cold environments. Phys Chem Chem Phys 21, 6247-6255 (10.1039/C8CP07474G)

Porer, M., Fechner, M., Kubli, M., Neugebauer, M.J., Parchenko, S., Esposito, V., Narayan, A., Spaldin, N.A., Huber, R., Radovic, M., Bothschafter, E.M., Glownia, J.M., Sato, T., Song, S., Johnson, S.L., and Staub, U. (2019). Ultrafast transient increase of oxygen octahedral rotations in a perovskite. Phys Rev Research 1, 012005 (10.1103/PhysRevResearch.1.012005)

Rettig, L., Caviezel, A., Mariager, S.O., Ingold, G., Dornes, C., Huang, S.W., Johnson, J.A., Radovic, M., Huber, T., Kubacka, T., Ferrer, A., Lemke, H.T., Chollet, M., Zhu, D., Glownia, J.M., Sikorski, M., Robert, A., Nakamura, M., Kawasaki, M., Tokura, Y., Johnson, S.L., Beaud, P., and Staub, U. (2019). Disentangling transient charge order from structural dynamics contributions during coherent atomic motion studied by ultrafast resonant x-ray diffraction. Phys Rev B 99, 134302 (10.1103/PhysRevB.99.134302)

Rivero, U., Unke, O.T., Meuwly, M., and Willitsch, S. (2019). Reactive atomistic simulations of Diels-Alder reactions: The importance of molecular rotations. J Chem Phys 151, 104301 (

Rossi, T.C., Grolimund, D., Nachtegaal, M., Cannelli, O., Mancini, G.F., Bacellar, C., Kinsche, D., Rouxel, J.R., Ohannessian, N., Pergolesi, D., Lippert, T., and Chergui, M. (2019). X-ray absorption linear dichroism at the Ti K edge of anatase TiO2 single crystals. Phys Rev B 100, 245207 (10.1103/PhysRevB.100.245207)

Roth, S., Crepaldi, A., Puppin, M., Gatti, G., Bugini, D., Grimaldi, I., Barrilot, T.R., Arrell, C.A., Frassetto, F., Poletto, L., Chergui, M., Marini, A., and Grioni, M. (2019). Photocarrier-induced band-gap renormalization and ultrafast charge dynamics in black phosphorus. 2D Materials 6, 031001 (10.1088/2053-1583/ab1216)

Roulet, J., Choi, S., and Vaníček, J. (2019). Efficient geometric integrators for nonadiabatic quantum dynamics. II. The diabatic representation. J Chem Phys 150, 204113 (10.1063/1.5094046)

Runeson, J.E., and Richardson, J.O. (2019). Spin-mapping approach for nonadiabatic molecular dynamics. J Chem Phys151, 044119 (10.1063/1.5100506)

Salehi, S.M., Koner, D., and Meuwly, M. (2019). Vibrational Spectroscopy of N-3(-) in the Gas and Condensed Phase. J Phys Chem B 123, 3282-3290. (10.1021/acs.jpcb.8b11430)

Saller, M.A.C., Kelly, A., and Richardson, J.O. (2019). On the identity of the identity operator in nonadiabatic linearized semiclassical dynamics. J Chem Phys 150, 071101 (10.1063/1.5082596)

Schläpfer, F., Volkov, M., Hartmann, N., Niedermayr, A., Schumacher, Z., Gallmann, L., and Keller, U. (2019). Phase stabilization of an attosecond beamline combining two IR colors. Opt Express 27, 22385-22392 (10.1364/OE.27.022385)

Schuhmann, K., Kirch, K., Knecht, A., Marszalek, M., Nez, F., Nuber, J., Pohl, R., Schulthess, I., Sinkunaite, L., Zeyen, M., and Antognini, A. (2019). Passive alignment stability and auto-alignment of multipass amplifiers based on Fourier transforms. Appl Opt 58, 2904-2912 (10.1364/AO.58.002904)

Sciortino, A., Gazzetto, M., Soriano, M.L., Cannas, M., Cardenas, S., Cannizzo, A., and Messina, F. (2019). Ultrafast spectroscopic investigation on fluorescent carbon nanodots: the role of passivation. Phys Chem Chem Phys 21, 16459-16467 (10.1039/C9CP03063H)

Sidler, D., and Hamm, P. (2019). Feynman diagram description of 2D-Raman-THz spectroscopy applied to water. J Chem Phys 150, 044202 (10.1063/1.5079497)

Svetina, C., Mankowsky, R., Knopp, G., Koch, F., Seniutinas, G., Rösner, B., Kubec, A., Lebugle, M., Mochi, I., Beck, M., Cirelli, C., Krempasky, J., Pradervand, C., Rouxel, J., Mancini, G.F., Zerdane, S., Pedrini, B., Esposito, V., Ingold, G., Wagner, U., Flechsig, U., Follath, R., Chergui, M., Milne, C., Lemke, H.T., David, C., and Beaud, P. (2019). Towards X-ray transient grating spectroscopy. Opt Lett 44, 574-577 (

Svoboda, V., Wang, C.C., Waters, M.D.J., and Wörner, H.J. (2019). Electronic and vibrational relaxation dynamics of NH3 Rydberg states probed by vacuum-ultraviolet time-resolved photoelectron imaging. J Chem Phys 151, 104306 (10.1063/1.5116707)

Thapa, M.J., Fang, W., and Richardson, J.O. (2019). Nonadiabatic quantum transition-state theory in the golden-rule limit. I. Theory and application to model systems. J Chem Phys 150, 104107 (10.1063/1.5081108)

Tsokkou, D., Peterhans, L., Cao, D.X., Mai, C.K., Bazan, G.C., Nguyen, T.Q., and Banerji, N. (2019). Excited State Dynamics of a Self-Doped Conjugated Polyelectrolyte. Adv Func Mat 26, 1906148 (10.1002/adfm.201906148)

Tzschaschel, C., Satoh, T., and Fiebig, M. (2019). Tracking the ultrafast motion of an antiferromagnetic order parameter. Nature Commun 10, 3995 (10.1038/s41467-019-11961-9)

Unke, O.T., Brickel, S., and Meuwly, M. (2019). Sampling reactive regions in phase space by following the minimum dynamic path. J Chem Phys 150, 074107 (10.1063/1.5082885)

Unke, O.T., and Meuwly, M. (2019). PhysNet: A Neural Network for Predicting Energies, Forces, Dipole Moments, and Partial Charges. J Chem Theory Comput 15, 3678-3693 (10.1021/acs.jctc.9b00181)

Vaillant, C.L., Thapa, M.J., Vaníček, J., and Richardson, J.O. (2019). Semiclassical analysis of the quantum instanton approximation. J Chem Phys 151, 144111 (10.1063/1.5123800)

Valadan, M., Pomarico, E., Della Ventura, B., Gesuele, F., Velotta, R., Amoresano, A., Pinto, G., Chergui, M., Improta, R., and Altucci, C. (2019). A multi-scale time-resolved study of photoactivated dynamics in 5-benzyl uracil, a model for DNA/protein interactions. Phys Chem Chem Phys 21, 26301-26310 (10.1039/C9CP03839F)

Vanacore, G.M., Berruto, G., Madan, I., Pomarico, E., Biagioni, P., Lamb, R.J., McGrouther, D., Reinhardt, O., Kaminer, I., Barwick, B., Larocque, H., Grillo, V., Karimi, E., García de Abajo, F.J., and Carbone, F. (2019). Ultrafast generation and control of an electron vortex beam via chiral plasmonic near fields. Nat Mater 18, 573-579 (10.1038/s41563-019-0336-1)

Volkov, M., Pupeikis, J., Phillips, C.R., Schlaepfer, F., Gallmann, L., and Keller, U. (2019a). Reduction of laser-intensity-correlated noise in high-harmonic generation. Opt Express 27, 7886-7895 (10.1364/OE.27.007886)

Volkov, M., Sato, S.A., Schläpfer, F., Kasmi, L., Hartmann, N., Lucchini, M., Gallmann, L., Rubio, A., and Keller, U. (2019b). Attosecond screening dynamics mediated by electron localization in transition metals. Nature Phys 15, 1145-1149 (s41567-019-0602-9)

Waltar, K., Haase, J., Pan, R., Golz, T., Kliuiev, P., Weinl, M., Schreck, M., Bajt, S., Stojanovic, N., van Bokhoven, J.A., Hengsberger, M., Osterwalder, J., and Castiglioni, L. (2019). Polarization-sensitive reconstruction of transient local THz fields at dielectric interfaces. Optica 6, 1431-1436 (10.1364/OPTICA.6.001431)

Weinert, T., Skopintsev, P., James, D., Dworkowski, F., Panepucci, E., Kekilli, D., Furrer, A., Brünle, S., Mous, S., Ozerov, D., Nogly, P., Wang, M., and Standfuss, J. (2019). Proton uptake mechanism in bacteriorhodopsin captured by serial synchrotron crystallography. Science 365, 61-65 (10.1126/science.aaw8634)

Willenberg, B., Maurer, J., Keller, U., Danek, J., Klaiber, M., Teeny, N., Hatsagortsyan, K.Z., and Keitel, C.H. (2019a). Holographic interferences in strong-field ionization beyond the dipole approximation: The influence of the peak and focal-volume-averaged laser intensities. Phys Rev A 100, 033417 (10.1103/PhysRevA.100.033417)

Willenberg, B., Maurer, J., Mayer, B.W., and Keller, U. (2019b). Sub-cycle time resolution of multi-photon momentum transfer in strong-field ionization. Nat Commun 10, 5548 (10.1038/s41467-019-13409-6)

Xu, Z.H., and Meuwly, M. (2019). Multistate Reactive Molecular Dynamics Simulations of Proton Diffusion in Water Clusters and in the Bulk. J Phys Chem B 123, 9846-9861 (10.1021/acs.jpcb.9b03258)

Zimmermann, J., Langbehn, B., Cucini, R., Di Fraia, M., Finetti, P., LaForge, A.C., Nishiyama, T., Ovcharenko, Y., Piseri, P., Plekan, O., Prince, K.C., Stienkemeier, F., Ueda, K., Callegari, C., Möller, T., and Rupp, D. (2019). Deep neural networks for classifying complex features in diffraction images. Phys Rev E 99, 063309 (10.1103/PhysRevE.99.063309)

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