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Title: Order-parameter-aided temperature-accelerated sampling for the exploration of crystal polymorphism and solid-liquid phase transitions

Authors:
; ; ; ; ;
Publication Date:
OSTI Identifier:
1169848
Report Number(s):
LLNL-JRNL-654045
DOE Contract Number:
DE-AC52-07NA27344
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics, vol. 140, na, June 5, 2014, pp. 214109
Research Org:
Lawrence Livermore National Laboratory (LLNL), Livermore, CA
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 71 CLASSICAL AND QUANTUMM MECHANICS, GENERAL PHYSICS; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY