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Updated: Oct 24, 2026

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
06:37

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

ThermoLIB─A Python Library for Constructing and Post-Processing Free-Energy Surfaces to Extract Thermodynamic and

Massimo Bocus1, Louis Vanduyfhuys1

  • 1Center for Molecular Modeling, Ghent University, Technologiepark 46, Zwijnaarde9052, Belgium.

Journal of Chemical Information and Modeling
|October 22, 2026
PubMed

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