Note: Free energy calculations for atomic solids through the Einstein crystal/molecule methodology using GROMACS and LAMMPS

  1. Aragones, J.L.
  2. Valeriani, C.
  3. Vega, C.
Revue:
Journal of Chemical Physics

ISSN: 0021-9606

Année de publication: 2012

Volumen: 137

Número: 14

Type: Article

DOI: 10.1063/1.4758700 GOOGLE SCHOLAR

Objectifs de Développement Durable