Python framework for generating and validating pseudo potentials
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Updated
Nov 8, 2023 - HTML
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ab-initio
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This is the proof of concept, how a relatively unsophisticated statistical model trained on the large MPDS dataset predicts physical properties from the only crystalline structure (POSCAR or CIF).
machine-learning
vasp
crystallography
cif
crystal-structure
poscar
materials-science
ab-initio
materials-informatics
physical-properties
random-forest-regressor
mpds-api
mpds-platform
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Updated
Oct 31, 2024 - HTML
Research Project under the guidance of Professor Ajit Rajwade
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Updated
Nov 6, 2018 - HTML
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