Teaching

Lecture Notes

• A Tutorial on Cluster Building for Computational Chemistry (in Chinese only)

I used to build and maintain a small computer cluster from 2009 to 2012. Based on that experience, I wrote a tutorial which is brief (only 50 pages) but sufficient for anyone to build a cluster with a network and a job queuing system in his/her own laboratory or home. Unfortunately, the contents in the book might be out of date and only a Chinese version is available.

• Understanding Quantum Chemistry from H2MODEL (English); 手算量子化学 (中文版); Source Code

It is not straightforward for beginners in quantum chemistry to understand how to obtain numerical results from abstract theoretical formulae. Therefore I wrote this small tutorial from 2009 to 2012, discussing in detail how to carry out an actual Hartree-Fock, configuration interaction, coupled-cluster, time-dependent/independent density functional theory, geometry optimization or Hessian calculation using H2 as an example. It therefore was also known as “Understanding Quantum Chemistry from H2MODEL” several years ago.