计算化学与分子模拟方法及MS软件简介

摘要

With the rapid development of high-tech, the computational chemistry of the chemical industry is extremely important.This paper discusses the main methods of computational chemistry, molecular simulation methods, and focuses on the Materials studio software.%随着高新技术的飞速发展, 化工领域中计算化学极其重要分支分子模拟技术所起作用越来越显著.本文论述了计算化学主要方法, 分子模拟方法, 并着重介绍了Materials studio软件.