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"Nonequilibrium free-energy calculation of solids using LAMMPS" Rodrigo Freitas, Mark Asta, and Maurice de Koning. Computational Materials Science

doi.org/10.1016/j.commatsci.2015.10.050

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pyiron-free-energy

"Nonequilibrium free-energy calculation of solids using LAMMPS" Rodrigo Freitas, Mark Asta, and Maurice de Koning. Computational Materials Science

doi.org/10.1016/j.commatsci.2015.10.050