Dr. Graeme Henkelman

Biography

Graeme Henkelman is a Professor in the Department of Chemistry at the University of Texas at Austin, affiliated with the ICES Center for Computational Molecular Sciences. His research is centered around understanding atomic scale dynamics of surface materials, addressing significant challenges in theoretical chemistry by bridging the gap between fast atomic movement and the human timescale at which interesting dynamics occur. Henkelman's group is actively engaged in developing computational methods to extend the timescale for dynamic simulations, which has applications in designing new materials for energy conversion and storage. The research aims to improve the efficiency of catalysts used in fuel cells, such as developing alternatives to expensive platinum, and studying battery materials to achieve higher energy power density for vehicle applications. The Henkelman group collaborates with chemists, material scientists, and engineers to model existing materials, understand atomic-scale function, and employ computational tools to explore alternatives. He is also a recipient of the ICES Moncrief Grand Challenge Award.

Research Interests