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分子动力学方法
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分子动力学方法
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分子动力学方法
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molecular dynamics methods
分子动力学方法
通过允许原子和分子在一段时间内交互作用,根据已知的物理近似求解系统中所有粒子的运动方程,获知原子运动过程图像的一种计算机模拟方法。是基于分子力场和依据经典牛顿或哈密顿力学原理所发展起来的确定性模拟计算方法。
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