Berlin 2014 – wissenschaftliches Programm

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MO: Fachverband Molekülphysik

MO 9: Theory 2: Molecular Dynamics & Quantum Chemistry

Dienstag, 18. März 2014, 14:00–16:00, BEBEL SR144

14:00 MO 9.1 Simulation of time-resolved pump-probe IR spectra — •Matthias Wohlgemuth and Roland Mitric
14:15 MO 9.2 Nonlinear Absorption Dynamics Using Field-Induced Surface Hopping: Zinc Porphyrin in Water — •Merle I. S. Röhr, Jens Petersen, and Roland Mitric
14:30 MO 9.3 Protein long timescale simulations using kinetic Monte Carlo — •Mateusz Marianski, Carsten Baldauf, and Matthias Scheffler
14:45 MO 9.4 Non-Adiabatic Molecular Dynamics with Conditional Wave Functions — •Guillermo Albareda, Heiko Appel, Ignacio Franco, Ali Abedi, and Angel Rubio
15:00 MO 9.5 Temperature-Dependent Absorption Spectra of Molecular Aggregates: Influence of non-Markovian Environment — •Gerhard Ritschel, Walter T. Strunz, and Alexander Eisfeld
15:15 MO 9.6 A route via X-ray emission spectroscopy for monitoring electron configuration during nuclear dynamics in excited molecules — •Hossein Ebadi and Simone Techert
15:30 MO 9.7 A Relativistic Time-Dependent Density Functional study of the excited states of the mercury dimer — •Ossama Kullie
15:45 MO 9.8 Exact factorization of the electron-nuclear wave function: Is the molecular Berry phase an artefact of the Born-Oppenheimer approximation? — •Seung Kyu Min, Ali Abedi, Kwang S. Kim, and E.K.U. Gross
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