Open AccessExtension of the Einstein molecule method for solid free energy calculation to non-periodic and semi-periodic systems
Author(s) -
Evan Pretti,
Jeetain Mittal
Publication year - 2019
Publication title -
journal of chemical physics online/the journal of chemical physics/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 - 10.1063/1.5100960
Subject(s) - slab , work (physics) , molecular dynamics , ideal (ethics) , energy (signal processing) , free surface , statistical physics , molecule , surface (topology) , crystal (programming language) , physics , materials science , thermodynamics , computer science , quantum mechanics , mathematics , geometry , philosophy , epistemology , geophysics , programming language