高分子材料模拟中的分子力学法和力场

高分子材料科学与工程, 2003, 19(1): 10-14.

高分子材料模拟中的分子力学法和力场

王艺峰 ^1, , 程时远 ^2, , 王世敏 ^3, , 陈艳军 ^4,

1.湖北大学化学与材料科学学院,湖北,武汉,430062

2.湖北大学化学与材料科学学院,湖北,武汉,430062

3.湖北大学化学与材料科学学院,湖北,武汉,430062

4.湖北大学化学与材料科学学院,湖北,武汉,430062

关键词：分子模拟 , 分子力学法 , 力场

MOLECULAR MECHANICS METHOD AND FORCE FIELD IN SIMULATIONS OF POLYMER MATERIALS

比较了分子模拟中两种基本方法:量子力学法和分子力学法.详细介绍了在高分子模拟中应用较多的分子力学法和力场,并预测了未来的发展趋势.

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高分子材料模拟中的分子力学法和力场

MOLECULAR MECHANICS METHOD AND FORCE FIELD IN SIMULATIONS OF POLYMER MATERIALS

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