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Updated: Dec 10, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Phasepy: A Python based framework for fluid phase equilibria and interfacial properties computation

Gustavo Chaparro1, Andrés Mejía1

  • 1Departamento de Ingeniería Química, Laboratorio de Cohesión, Universidad de Concepción, Concepción, Chile.

Journal of Computational Chemistry
|September 2, 2020
PubMed

Keywords:
Pythonfluid phase equilibriainterfacial properties

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