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Updated: Mar 29, 2026

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Automatic Control of Solvent Density in Grand Canonical Ensemble Monte Carlo Simulations

Joshua A Speidel1, Jason R Banfelder1, Mihaly Mezei1

  • 1Department of Physiology and Biophysics and HRH Prince Alwaleed Bin Talal Bin Abdulaziz Alsaud Institute for Computational Biomedicine, Weill Cornell Medical College, New York, New York 10021, and Department of Molecular Physiology and Biophysics, Box 1218, Mount Sinai School of Medicine, NYU, One Gustave L. Levy Place, New York, New York 10029.

Journal of Chemical Theory and Computation
|December 3, 2015
PubMed

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