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Machine Learning a General-Purpose Interatomic Potential for Silicon

The success of first-principles electronic-structure calculation for predictive modeling in chemistry, solid-state physics, and materials science is constrained by the limitations on simulated length scales and timescales due to the computational cost and its scaling. Techniques based on machine-lea...

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書誌詳細
主要な著者: Albert P. Bartók, James Kermode, Noam Bernstein, Gábor Csányi
フォーマット: Artigo
言語:Inglês
出版事項: American Physical Society 2018-12-01
シリーズ:Physical Review X
オンライン・アクセス:http://doi.org/10.1103/PhysRevX.8.041048
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