Publication Date:
2015-05-06
Description:
Author(s): Edyta Małolepsza, Jaegil Kim, and Tom Keyes Metastable β ice holds small guest molecules in stable gas hydrates, so its solid-liquid equilibrium is of interest. However, aqueous crystal-liquid transitions are very difficult to simulate. A new molecular dynamics algorithm generates trajectories in a generalized N P T ensemble and equilibrates st... [Phys. Rev. Lett. 114, 170601] Published Tue Apr 28, 2015
Keywords:
General Physics: Statistical and Quantum Mechanics, Quantum Information, etc.
Print ISSN:
0031-9007
Electronic ISSN:
1079-7114
Topics:
Physics
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