Many theoretical calculation methods are involved, such as quantum chemistry, molecular mechanisms, molecular dynamics, Monte Carlo method and Free Energy calculation and so on.
常用的理论计算方法包括量子化学、分子力学、分子动力学、蒙特卡洛方法及自由能计算方法等。
The principle of minimum free energy method was analyzed. The calculation method of thermal chemical ablation was studed.
运用最小自由能原理，研究了超高温热化学烧蚀的计算方法。
Procedures for the multiphase equilibrium calculation are generally based on Gibbs free energy minimization or equation-solving methods.
基于吉布斯最小自由能原理，建立了铜闪速熔炼过程的多相平衡数学模型。
应用推荐