OptiBoost: A method for choosing a safe and efficient boost for the bond-boost method in accelerated molecular dynamics simulations with hyperdynamics
OptiBoost: A method for choosing a safe and efficient boost for the bond-boost method in accelerated molecular dynamics simulations with hyperdynamics
复制标题
OptiBoost:一种在超动力学加速分子动力学模拟中为键增强方法选择安全有效的增强方法
DOI:
10.1063/5.0088521
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发表时间:
2022
期刊:
影响因子:
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通讯作者:
Fichthorn, Kristen A.
中科院分区:
文献类型:
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作者:
Cui, Jianming;Fichthorn, Kristen A.