ORB-v3
A general-purpose interatomic potential (machine learning potential) model that emphasizes transferability across elements and structures, used in crystal structure prediction for relaxation and energy ranking of candidate structures.
Timeline (last 90 days)
TCSP3.0 introduces enhancement modules such as period-number retrieval, soft oxidation-state evidence, radius compatibility scoring, structure deduplication, ORB-v3 machine learning potential relaxation, and energy ranking.
ORB-v3 belongs to the class of universal interatomic potentials, emphasizing transferability across elements and structures.
All Facts (2)
TCSP3.0 introduces enhancement modules such as period-number retrieval, soft oxidation-state evidence, radius compatibility scoring, structure deduplication, ORB-v3 machine learning potential relaxation, and energy ranking.
50%UnverifiedORB-v3 belongs to the class of universal interatomic potentials, emphasizing transferability across elements and structures.
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