Infrastructure for Interoperability in Computational Chemistry

The workflows used in computational chemistry can be arduous as they are insular. Research groups with distinct expertise have tended to develop their own in-house programs written in a variety of programming languages. Providing a centralized common interface to these programs has been a focus of Psi4. Users benefit from having a unified environment that provides access to these disparate programs.

 Speaker: Lori Burns, Georgia Tech
 Speaker: Justin Turney, University of Georgia Chemistry