Date/Time
Date(s) - 21/03/2024
1:30 pm - 2:20 pm

Title: Building an Ecosystem for Research and Education in Theoretical Chemistry

Date: Thursday March 21, 2024

Time: 1:30-2:20pm

Room: ABB 165

Host: Dr. Alex Adronov

Abstract: I will motivate, and review the progress, that my collaborators and I have made towards developing a software ecosystem for research and education in theoretical chemistry, under the umbrella of the QC-Devs (qcdevs.org) international software community. QC-Devs is devoted to developing sustainable free and open-source software for quantum chemistry, physics, and the computational sciences. We’re also adapting some of the same principles to develop free and open-source educational materials (qc-edu.org).

The goal of this presentation is to familiarize the audience with the current QC-Devs software landscape and philosophy and to discuss some of the scientific research it has facillitated. We’ll discuss the (sometimes painful) lessons we’ve learned along the way, and describe how we’ve arrived at our current (yet constantly evolving) principles protocols.