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Ilya V. Chepkasov, Alexander V. Shapeev, Alexander G. Kvashnin

Public reference bibliography and cataloged PDF materials authored or published by Ilya V. Chepkasov, Alexander V. Shapeev, Alexander G. Kvashnin.

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Active Learning for Interatomic Potentials: A Review of Uncertainty-Driven Data Efficiency

Year: 2026 • Source: arxiv.org • Listed PDF

Developing a machine learning interatomic potential (MLIP) that is accurate for the specific conditions under which it will be applied, rather than simply for the predefined configurations chosen by the model developer, ...