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Improving molecular force fields across configurational space by combining supervised and unsupervised machine learning

机译：通过组合监督和无监督机学习改善跨配置空间的分子力场

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Gregory Fonseca; Igor Poltavsky; Valentin Vassilev-Galindo; Alexandre Tkatchenko;
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Improving molecular force fields across configurational space by combining supervised and unsupervised machine learning

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