Our group specializes in theoretical and computational chemistry, with a focus on developing new mathematical tools, numerical algorithms, and computer software to qualitatively and quantitatively predict the outcome of chemical phenomena using strategies from quantum chemistry and machine learning. As co-founders of the QC-Devs International Software Development Consortium, we are committed to open science and open-source tools that enable reproducible research and hands-on education. Learn more on our Research page or explore our publications on Google Scholar.

We are based in the Department of Chemistry at Queen’s University in Kingston, Ontario, Canada, on the shores of beautiful Lake Ontario. We welcome diverse perspectives and are always interested in connecting with prospective students, postdocs, and collaborators. To learn more, visit our Join Us page.