On computing the solubility of molecular systems subject to constraints using the extended Einstein crystal method

by Gobbo, Gianpaolo, Ciccotti, Giovanni, Trout, Bernhardt L.
Published 2020

Nucleation of molecular crystals driven by relative information entropy

by Gobbo, Gianpaolo, Bellucci, Michael A., Tribello, Gareth A., Ciccotti, Giovanni, Trout, Bernhardt L.
Published 2020