Title:
Infrastructure for Interoperability in Computational ChemistryDescription:
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.
Presenter(s):
Speaker: Lori Burns, Georgia Tech | |
Speaker: Justin Turney, University of Georgia Chemistry |