Matbench Discovery - Model Predictions for Geometry Optimization

Name: Matbench Discovery - Model Predictions for Geometry Optimization
License: Open Access

Janosh Riebesell (13245669)

Figshare · Datasets · License: Open Access

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inorganic materials (incl. nanomaterials), structure and dynamics of materials, cheminformatics and quantitative structure-activity relationships, force field, geometry optimization, high-throughput crystal structure stability prediction, interatomic potential, lattice vibrations

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