Guangzhou Chemical Industry

摘要

Molecular Simulation is a curriculum with strong theoretical background. In the light of conceptualabstraction and theoretical depth of molecular simulation in the teaching process, the Materials Studio software was introduced into the course. The theoretical method of molecular simulation and an application case of gas adsorption by Materials Studio were discussed. Practice showed that the introduction of Materials Studio can help students understand molecular simulation more deeply and improve the efficiency of class teaching.%分子模拟是一门理论性较强的课程，针对分子模拟涉及概念抽象、理论性强等特点，将Mαteriαls Studio分子模拟软件引入到具体的教学过程中，以便让学生有更直观的认识。简要介绍了分子模拟理论方法以及Mαteriαls Studio软件在气体吸附方面的应用和计算分析。实践表明，使用Mαteriαls Studio软件辅助教学使学生对分子模拟的理解更深刻，从而显著改善了课堂教学效果。