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Henrik Christiansen1, Takashi Maruyama1, Federico Errica1
1NEC Laboratories Europe GmbH, Kurfürsten-Anlage 36, 69115 Heidelberg, Germany.
我们开发了DIMOS,一个微分分子模拟框架. 它加速了经典和机器学习模拟,提供了显著的加快速度,并使参数优化能够提高效率.
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