Mapping and classifying molecules from a high-throughput structural database

por De, Sandip, Musil, Felix, Ingram, Teresa, Baldauf, Carsten, Ceriotti, Michele
Publicado 2017

Chemical shifts in molecular solids by machine learning

por Paruzzo, Federico M., Hofstetter, Albert, Musil, Félix, De, Sandip, Ceriotti, Michele, Emsley, Lyndon
Publicado 2018

Machine learning for the structure–energy–property landscapes of molecular crystals

por Musil, Félix, De, Sandip, Yang, Jack, Campbell, Joshua E., Day, Graeme M., Ceriotti, Michele
Publicado 2017