深度势能方法在材料科学中的应用
Deep Potentials for Materials Science
深度势能方法在材料科学中的应用 |
| 文通其, 刘怀忆, 龚小国, 叶贝琳, 刘思宇, 李卓远 |
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Deep Potentials for Materials Science |
| WEN Tongqi, LIU Huaiyi, GONG Xiaoguo, YE Beilin, LIU Siyu, LI Zhuoyuan |
| 图4 Ti DP压缩模型与嵌入原子势(EAM)和修正嵌入原子势(MEAM)函数在CPU和GPU机器上的速率比较[ |
| Fig.4 Comparisons of the speed of MD simulations using the compressed Ti DP, an embedded atomic potential (EAM), and/or an modified embedded atomic potential (MEAM) functions on CPU (a) and GPU (b) systems[ |
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