Resources

Getting started

Perhaps the easiest way is to install Windows 10 or 11 (via BNU License) and enable WSL (Windows Subsystem for Linux).

Series of lectures on daily tools: Unix Shell, editor (Vim), command-line tools, version control (Git), debugger, and more.

Installations of some indispensable software and applications.

Another good place to learn Unix Shell, Git, and programming with Python.

Numerous excellent notes on quantum chemistry written by Professor David Sherrill at Georgia Tech.

Series of programming tutorials/projects created by the Crawford group at Virginia Tech.

Various tutorials on computational chemistry created by the Liu group at Emory University.

Specifically, I recommend reading the notes on "Writing Papers", "Creating Figures for Publication", and "How To Run LaTeX".

Perhaps a better way to learn LaTex is to play around some of the ACS / AIP / PCCP templates from Overleaf.

Please check this article (DOI: 10.1371/journal.pcbi.1003833) and the code of plotting these figures on GitHub.

Please check this article (DOI: 10.1002/adma.200400767) for writing a scientific paper.

Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory by Attila Szabo and Neil S. Ostlund
Second Quantization-Based Methods in Quantum Chemistry by Poul Jørgensen and Jack Simons
Molecular Electronic-Structure Theory by Trygve Helgaker, Poul Jørgensen, and Jeppe Olsen
Many-Body Methods in Chemistry and Physics: MBPT and Coupled-Cluster Theory by Isaiah Shavitt and Rodney J. Bartlett
Principles of Quantum Mechanics 2nd Edition by R. Shankar
Modern Quantum Mechanics 3rd Edition by J. J. Sakurai and Jim Napolitano
Fundamentals of Matrix Computations by David S. Watkins
Writing Science: How to Write Papers That Get Cited and Proposals That Get Funded by Joshua Schimel