Free energies of crystals computed using Einstein crystal with fixed center of mass and differing spring constants

TitleFree energies of crystals computed using Einstein crystal with fixed center of mass and differing spring constants
Publication TypeJournal Article
Year of Publication2021
AuthorsKhanna V, Anwar J, Frenkel D, Doherty MF, Peters B
JournalThe Journal of Chemical Physics
Volume154
Pagination164509
DOI10.1063/5.0044833
Grant: 
CSC, MRL (new) (DMR-1720256), MRI (CNS-1725797)