工学 石油和化工智能化工厂 释 molecular simulation 分子模拟 依据量子力学、分子力学和分子动力学等计算化学方法，在计算机上对体系的各种理化行为进行研究的科学方法。 理学 分子设计 释 molecular modeling 分子模拟 将分子体系描述为可以操作的数学模型，借助计算机技术来研究分子体系的微观结构、动态行为以及宏观性质。
＞理论与计算化学＞分子力学＞释义 molecular modeling 分子模拟
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