Order-parameter-aided temperature-accelerated sampling for the exploration of crystal polymorphism and solid-liquid phase transitions
Author(s) -
Tang-Qing Yu,
Pei-Yang Chen,
Ming Chen,
Amit Samanta,
Eric VandenEijnden,
Mark E. Tuckerman
Publication year - 2014
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4878665
Subject(s) - statistical physics , energy landscape , supercell , adiabatic process , phase transition , molecular dynamics , physics , thermodynamics , quantum mechanics , thunderstorm , meteorology
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom