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Updated: Jul 27, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Numerical Discrimination of Thermodynamic Monte Carlo Simulations in All Eight Statistical Ensembles

Isabel Nitzke1, Jadran Vrabec1

  • 1Thermodynamics, Technische Universtität Berlin, 10587 Berlin, Germany.

Journal of Chemical Theory and Computation
|June 9, 2023
PubMed

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