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Wiley Interdisciplinary Reviews. Computational Molecular Science|November 20, 2018
Nonadiabatic dynamics: The SHARC approachSebastian Mai, Philipp Marquetand, Leticia González
The Journal of Physical Chemistry Letters|April 21, 2020
Combining SchNet and SHARC: The SchNarc Machine Learning Approach for Excited-State DynamicsJulia Westermayr, Michael Gastegger, Philipp Marquetand
Angewandte Chemie (International Ed. in English)|April 28, 2018
Machine Learning for Organic Synthesis: Are Robots Replacing Chemists?Boris Maryasin, Philipp Marquetand, Nuno Maulide
The Journal of Physical Chemistry Letters|May 12, 2016
Intersystem Crossing Pathways in the Noncanonical Nucleobase 2-Thiouracil: A Time-Dependent PictureSebastian Mai, Philipp Marquetand, Leticia González
The Journal of Physical Chemistry. A|August 19, 2015
A Static Picture of the Relaxation and Intersystem Crossing Mechanisms of Photoexcited 2-ThiouracilSebastian Mai, Philipp Marquetand, Leticia González
The Journal of Physical Chemistry. A|November 11, 2011
Stark control of a chiral fluoroethylene derivativeDaniel Kinzel, Philipp Marquetand, Leticia González
The Journal of Chemical Physics|June 2, 2014
Non-adiabatic and intersystem crossing dynamics in SO2. II. The role of triplet states in the bound state dynamics studied by surface-hopping simulationsSebastian Mai, Philipp Marquetand, Leticia González
The Journal of Chemical Physics|May 23, 2016
Comparing the accuracy of high-dimensional neural network potentials and the systematic molecular fragmentation method: A benchmark study for all-trans alkanesMichael Gastegger, Clemens Kauffmann, Jörg Behler, et al.
Topics in Current Chemistry|October 3, 2014
Excitation of nucleobases from a computational perspective II: dynamicsSebastian Mai, Martin Richter, Philipp Marquetand, et al.
Scientific Reports|October 21, 2016
Revealing Deactivation Pathways Hidden in Time-Resolved Photoelectron SpectraMatthias Ruckenbauer, Sebastian Mai, Philipp Marquetand, et al.
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