Skip to content Skip to navigation
See our Campus Ready site for most up to date information about the fall semester.Campus ReadyCOVID Help

People

Prof. Hrant Hratchian

Developments in quantum chemistry and potential energy surface exploration; computational inorganic chemistry; mechanistic study and rational design of transition metal catalysts.

Prof. Christine Isborn

Developing and applying electronic structure theory, molecular dynamics and QM/MM methods to the modeling of charge transfer, optical spectroscopy, and photochemistry or molecules and materials in complex environments.

Prof. Aurora Pribram-Jones

Developing and analyzing static and time-dependent density functional theory, particularly their thermal and ensemble versions; applying density functional and semiclassical methods to atoms and molecules; modeling complex alloys; studies of warm dense matter.

Prof. Liang Shi

Developing and applying multi-scale modeling methods to understand the structure, dynamics and spectroscopy of complex condensed-phase molecular systems.

Prof. David Strubbe

Computational and theoretical condensed-matter physics and chemistry; excited-state electronic-structure methods, amorphous materials, photovoltaics, thermoelectrics, scientific code development for high-performance computing.