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Computation and Modeling Research Groups

Computation and Modeling Research Groups
Group Website Research Specifics
Guida, Wayne Guida, Wayne
Johnston, Milton Johnston, Milton
Rogers, David Rogers, David My group develops predictive models for new physics and chemistry that appear when moving up from the atomic to the nano and micro-scale. To support this goal, we are developing the thermodynamics of far-from equilibrium systems, building functional data structures for supercomputing and applying Bayesian inference to mine computational data.
Space, Brian Space, Brian The Space Group is a theoretical chemistry group concerned primarily with computer simulation of condensed phase phenomena. Current focus is on the development of potential energy functions for environmentally relevant gases, which are used in simulations of sorption within metal–organic materials, or MOMs.
van der Vaart, Arjan van der Vaart, Arjan
Woodcock, Lee Woodcock, Lee