Quantum-chemical computations are an increasingly important component of modern chemical research. Psi4 is a freely-available, open-source program providing many popular electronic structure methods, including those based upon density functional theory, many-body perturbation theory, coupled-cluster theory, and configuration interaction. It has been designed to be as user-friendly as possible, both for beginning computational chemists and for advanced users. For users who want to automate complex workflows, Psi4 can now be called from a Python script as a regular Python module. This workshop will introduce the Psi4 program and how it can be used in research or education. Registration for Psi4 workshop is required and FREE.

To register, visit https://www.eventbrite.com/e/psi4-workshop-tickets-74347733071.

Hosted by PACE and Presented by Prof. David Sherrill and team.