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SI2: Automated Statistical Mechanics for the First-Principles Prediction of Finite Temperature Properties of Crystals

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poster
posted on 2020-02-05, 06:04 authored by Anton Van der VenAnton Van der Ven
Poster describing the CASM software package. The CASM software package automates first-principles statistical mechanics calculations of crystalline solids.
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Funding

NSF OAC 1642433

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    Keywords

    NSF-CSSI-2020-PosterCeramicsMetals and Alloy MaterialsEnergy Generation, Conversion and Storage EngineeringCompound Semiconductors

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    CC BY 4.0

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