Note: Free energy calculations for atomic solids through the Einstein crystal/molecule methodology using GROMACS and LAMMPS
Aragones, J. L., Valeriani, C., Vega, C.Volume:
137
Year:
2012
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.4758700
File:
PDF, 334 KB
english, 2012