Molecular ModellingPrinciples Applications

AY2022/2023 Semester 1

The teaching content of this course includes two parts: 1) to learn Python programming and its applications in numerical simulations in chemical science; 2) to learn basic computational chemistry and its applications with ab initio software. Content of the first part aims to build your strength in solving chemical problems with home-made computation program. Content of the second part aims to train students to be able to study organic chemistry related problems by using computational software