Quantum Chemistry

MoleCVUE Resources (Molecular Computation and Visualization in Undergraduate Education.)

A curated list of resources for incorporating computational chemistry into the curriculum.

MolSSI undergraduate training and education programming

1. Getting Started in Computational Chemistry web resource. MolSSI has curated a list of tutorials for common computational skills students need to get started in computational chemistry research. We hope that researchers can use this resource to train students on basic skills, thus reducing the amount of time they spend training students and getting students up to speed faster.


2. Python Data and Scripting Workshop. MolSSI has developed a Python data and scripting workshop to teach beginning research students practical programming skills that will enhance their ability to participate in undergraduate research. This workshop covers skills such as file parsing, plotting, and basic version control. The workshop is being offered at the Great Lakes Regional ACS meeting on May 3 and the Southeastern Theoretical Chemistry Association meeting on May 15-16. More information and registration for the GLRM can be found here, and more information and registration for SETCA can be found here.

Interesting blogs

Proteins and wavefunctions (by Jan Jansen & other members of the Center for Computational Molecular Sciences at the University of Copenhagen)

Condensed concepts (by Ross McKenzie)