Merrell R. Fenske Professor of Chemical Engineering
Professor of Physics
Ph.D., University of Michigan
Office: 164 Fenske Laboratory
Phone: (814) 863-4807
Fax: (814) 865-7846
Labs: 20, 174 Fenske
20 Lab Phone:
174 Lab Phone: 863-7975
The primary focus of my research is on applying atomistic simulation techniques, such as Monte Carlo methods and molecular dynamics, quantum mechanics, and con-densed-matter theory to study materials interfaces. Generally, these studies are designed to test, modify, and propose theory, to model experiments so that intriguing results can be understood, and to predict novel behavior encouraging further experimental work.
We tend to focus on technological applications in which innovation hinges on detailed mo-lecular-level understanding. We are also interested in developing multi-scale simulation methods that allow inclusion of relevant atomic-scale details in macroscopic simulations relevant for engineering design.
Our work is supported by the US National Science Foundation, the Department of Energy, and Dow Chemical Co. We are grateful for computing time on XSEDE, as well as on Blue Gene/Q at Argonne National Laboratory.
A few of our recent efforts are summarized on my research page.