MolSSI Workshops

The Molecular Sciences Software Institute (the MolSSI) is an NSF-funded institute that aims to improve software, education, and training in computational chemistry.  This year’s workshop Quantum Mechanics Tools will be all day July 19-20, 2022 at Furman University.

The Quantum Mechanics Tools workshop introduces students to fundamental concepts and calculation types in quantum mechanics.  The workshop utilizes  psi4numpy, the python interface for the quantum chemistry software package Psi4.  The workshop assume students have a basic understanding of python syntax and data structures. If students need to develop these skills, they can complete the introductory lesson of  MolSSI’s Python Data and Scripting workshop.