A MD-based method to calculate free energy for crystalline structures: from basic theory to application (Q3058578)
From MaRDI portal
scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | A MD-based method to calculate free energy for crystalline structures: from basic theory to application |
scientific article |
Statements
A MD-based method to calculate free energy for crystalline structures: from basic theory to application (English)
0 references
3 December 2010
0 references
molecular dynamics (MD)
0 references
phonon theory
0 references
fluctuation theory
0 references
