computational quantum chemistry

例句：

1. 1.Computational quantum chemistry has become a hot topic in recent years.
   计算量子化学近年来已成为热门话题。
2. 2. This computational quantum chemistry software is very user-friendly.
   这款计算量子化学软件非常用户友好。
3. 3. The computational quantum chemistry model can accurately simulate the behavior of molecules.
   计算量子化学模型可以准确地模拟分子的行为。