Kernel-Based Machine Learning for Efficient Simulations of Molecular Liquids

por Scherer, Christoph, Scheid, René, Andrienko, Denis, Bereau, Tristan
Publicado 2020

Benchmarking coarse-grained models of organic semiconductors via deep backmapping

por Stieffenhofer, Marc, Scherer, Christoph, May, Falk, Bereau, Tristan, Andrienko, Denis
Publicado 2022

Computing inelastic neutron scattering spectra from molecular dynamics trajectories

por Harrelson, Thomas F., Dettmann, Makena, Scherer, Christoph, Andrienko, Denis, Moulé, Adam J., Faller, Roland
Publicado 2021