Nucleation of molecular crystals driven by relative information entropy

Simulating nucleation of molecular crystals is extremely challenging for all but the simplest cases. The challenge lies in formulating effective order parameters that are capable of driving the transition process. In recent years, order parameters based on molecular pair-functions have been successf...

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Bibliographic Details
Main Authors: Gobbo, Gianpaolo (Author), Bellucci, Michael A. (Author), Tribello, Gareth A. (Author), Ciccotti, Giovanni (Author), Trout, Bernhardt L. (Author)
Other Authors: Massachusetts Institute of Technology. Department of Chemical Engineering (Contributor)
Format: Article
Language:English
Published: American Chemical Society (ACS), 2020-12-03T00:14:16Z.
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