Gaussian Process Regression for Materials and Molecules

por Deringer, Volker L., Bartók, Albert P., Bernstein, Noam, Wilkins, David M., Ceriotti, Michele, Csányi, Gábor
Publicado 2021

Machine learning unifies the modeling of materials and molecules

por Bartók, Albert P., De, Sandip, Poelking, Carl, Bernstein, Noam, Kermode, James R., Csányi, Gábor, Ceriotti, Michele
Publicado 2017

Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions

por Cisneros, Gerardo Andrés, Wikfeldt, Kjartan Thor, Ojamäe, Lars, Lu, Jibao, Xu, Yao, Torabifard, Hedieh, Bartók, Albert P., Csányi, Gábor, Molinero, Valeria, Paesani, Francesco
Publicado 2016