讲座主题: Advanced topics in molecular modeling
报告人: 王峰 教授
University of Arkansas https://wanglab.hosted.uark.edu/
时间/地点
7月 10日 上午10:00-11:15/化学楼A717
7月 10日 下午14:00-15:15/化学楼A717
7月 11日 上午10:00-11:15/化学楼A717
7月 12日 上午10:00-11:15/化学楼A717
7月15,17,18,19日 上午10:00-11:15/化学楼A201
报告摘要:
The advanced topics class will cover the following subjects:
An introduction of modeling of intermolecular interactions. This subject will cover basic concepts in force field fitting, multipole interactions, symmetry adapted perturbation theory, and property calculations.
Another topic will be simulation techniques. This subject will cover topics such as free energy calculations, enhanced sampling, Monte Carlo, Kinetic Monte Carlo.
欢迎参加!
理论与计算化学所
2019.07.04