Theresa Windus

Dept: Chemistry
Office:125 Spedding
Topics of interest: Catalysts, Computational Chemistry, Critical Materials, Distributed Computing, Dynamics, Massively Parallel Design and Implementation, Reaction Mechanisms, Renewable Energy and Environmental Science, Software Architectures, Software Interoperability

The Windus group develops and interconnects computational methods to solve important chemical problems such as developing catalysts, determining extractants for obtaining rare earth metals, examining processes for renewable energy sources, and understanding chemistry essential to environmental science. The group develops massively parallel algorithms to accomplish this science using the latest state of the art computational resources. Students in the Windus group learn how to use and understand the limitations of existing theories and software packages, to develop and interface new theoretical and computational methods, to implement these methods on large computers, and to critically evaluate and solve scientific problems.

Research Works (22)