Modeling quantum nuclei with perturbed path integral molecular dynamics

por Poltavsky, Igor, Tkatchenko, Alexandre
Publicado 2016

Efficient interatomic descriptors for accurate machine learning force fields of extended molecules

por Kabylda, Adil, Vassilev-Galindo, Valentin, Chmiela, Stefan, Poltavsky, Igor, Tkatchenko, Alexandre
Publicado 2023

Author Correction: Efficient interatomic descriptors for accurate machine learning force fields of extended molecules

por Kabylda, Adil, Vassilev-Galindo, Valentin, Chmiela, Stefan, Poltavsky, Igor, Tkatchenko, Alexandre
Publicado 2023

Machine learning of accurate energy-conserving molecular force fields

por Chmiela, Stefan, Tkatchenko, Alexandre, Sauceda, Huziel E., Poltavsky, Igor, Schütt, Kristof T., Müller, Klaus-Robert
Publicado 2017

Machine Learning Force Fields

por Unke, Oliver T., Chmiela, Stefan, Sauceda, Huziel E., Gastegger, Michael, Poltavsky, Igor, Schütt, Kristof T., Tkatchenko, Alexandre, Müller, Klaus-Robert
Publicado 2021