519 citations · 3k across the 38 of their papers we have counts for
4 papers · 1 filter
Neural networks and kernel ridge regression for excited states dynamics of CHNH: From single-state to multi-state representations and multi-property machine learning models
Julia Westermayr, Felix A. Faber, Anders S. Christensen +2
Excited-state dynamics simulations are a powerful tool to investigate photo-induced reactions of molecules and materials and provide complementary information to experiments. Since…
On maximal multiplicities for Hamiltonians with separable variables
B. Helffer, T. Hoffmann-Ostenhof, P. Marquetand
For , we consider the collection of all the rows, for which, for , the row consists of an increasi…
Internal conversion and intersystem crossing pathways in UV excited, isolated uracils and their implications in prebiotic chemistry
Hui Yu, Jose A. Sanchez-Rodriguez, Marvin Pollum +5
The photodynamic properties of molecules determine their ability to survive in harsh radiation environments. As such, the photostability of heterocyclic aromatic compounds to elect…
Ab Initio Molecular Dynamics Relaxation and Intersystem Crossing Mechanisms of 5-Azacytosine
Antonio Carlos Borin, Sebastian Mai, Philipp Marquetand +1
The gas phase relaxation dynamics of photoexcited 5-azacytosine has been investigated by means of SHARC (surface-hopping including arbitrary couplings) molecular dynamics, based on…