Analyzing melts and fluids from ab initio molecular dynamics simulations with the UMD package
Analyzing melts and fluids from ab initio molecular dynamics simulations with the UMD package
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Ithaca: Cornell University Library, arXiv.org
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English
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Ithaca: Cornell University Library, arXiv.org
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We develop a Python-based open-source package to analyze the results stemming from ab initio molecular-dynamics simulations of fluids. The package is best suited for applications on natural systems, like silicate and oxide melts, water-based fluids, various supercritical fluids. The package is a collection of Python scripts that include two major l...
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Analyzing melts and fluids from ab initio molecular dynamics simulations with the UMD package
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TN_cdi_proquest_journals_2570278561
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2570278561
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2331-8422
