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Dylan D Fortney1, Brett M Savoie2
1Davidson School of Chemical Engineering, Purdue University, West Lafayette, Indiana 47906, United States.
用粗粒度分子动力学 (CGMD) 的遗传算法优化简单的莱纳德-斯潜力,成功地重现了复杂的材料特性. 这种数据驱动的方法在CGMD模拟中比复杂的神经网络提供了优势.
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