A complete description of thermodynamic stabilities of molecular crystals

por Kapil, Venkat, Engel, Edgar A.
Publicado 2022

Liquid water contains the building blocks of diverse ice phases

por Monserrat, Bartomeu, Brandenburg, Jan Gerit, Engel, Edgar A., Cheng, Bingqing
Publicado 2020

A data-driven interpretation of the stability of organic molecular crystals

por Cersonsky, Rose K., Pakhnova, Maria, Engel, Edgar A., Ceriotti, Michele
Publicado 2023

Mapping uncharted territory in ice from zeolite networks to ice structures

por Engel, Edgar A., Anelli, Andrea, Ceriotti, Michele, Pickard, Chris J., Needs, Richard J.
Publicado 2018

Local Kernel Regression and Neural Network Approaches to the Conformational Landscapes of Oligopeptides

por Fabregat, Raimon, Fabrizio, Alberto, Engel, Edgar A., Meyer, Benjamin, Juraskova, Veronika, Ceriotti, Michele, Corminboeuf, Clemence
Publicado 2022

A Machine Learning Model of Chemical Shifts for Chemically and Structurally Diverse Molecular Solids

por Cordova, Manuel, Engel, Edgar A., Stefaniuk, Artur, Paruzzo, Federico, Hofstetter, Albert, Ceriotti, Michele, Emsley, Lyndon
Publicado 2022