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The Journal of Chemical Physics|June 4, 2020
Born-Oppenheimer and non-Born-Oppenheimer contributions to time-dependent electron momentaThomas Schaupp, Volker EngelThe Journal of Chemical Physics|May 3, 2019
On the calculation of time-dependent electron momenta within the Born-Oppenheimer approximationThomas Schaupp, Volker EngelThe Journal of Physical Chemistry Letters|April 25, 2022
BuRNN: Buffer Region Neural Network Approach for Polarizable-Embedding Neural Network/Molecular Mechanics SimulationsBettina Lier, Peter Poliak, Philipp Marquetand, et al.Molecules (Basel, Switzerland)|November 4, 2018
Simulated and Experimental Time-Resolved Photoelectron Spectra of the Intersystem Crossing Dynamics in 2-ThiouracilSebastian Mai, Abed Mohamadzade, Philipp Marquetand, et al.Nature Computational Science|January 4, 2024
Solving the electronic Schrödinger equation for multiple nuclear geometries with weight-sharing deep neural networksMichael Scherbela, Rafael Reisenhofer, Leon Gerard, et al.Faraday Discussions|March 29, 2012
Nonadiabatic ab initio molecular dynamics including spin-orbit coupling and laser fieldsPhilipp Marquetand, Martin Richter, Jesús González-Vázquez, et al.The Journal of Physical Chemistry Letters|August 22, 2015
Femtosecond Intersystem Crossing in the DNA Nucleobase CytosineMartin Richter, Philipp Marquetand, Jesús González-Vázquez, et al.Journal of Chemical Theory and Computation|November 27, 2015
SHARC: ab Initio Molecular Dynamics with Surface Hopping in the Adiabatic Representation Including Arbitrary CouplingsMartin Richter, Philipp Marquetand, Jesús González-Vázquez, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|July 30, 2013
Singlet and triplet excited-state dynamics study of the keto and enol tautomers of cytosineSebastian Mai, Philipp Marquetand, Martin Richter, et al.The Journal of Chemical Physics|May 17, 2011
Time-resolved photoelectron spectroscopy of coupled electron-nuclear motionMirjam Falge, Volker Engel, Stefanie GräfePageof 12