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.
Journal:
Journal of Chemical Physics

ISSN: 0021-9606

Year of publication: 2012

Volume: 137

Issue: 14

Type: Article

DOI: 10.1063/1.4758700 GOOGLE SCHOLAR

Sustainable development goals

Data source: Scopus