Energy Systems and Materials Simulation
The Energy Systems and Materials Simulation Group at WVU is dedicated to increasing
the industrial utility of science-based models of chemical and electrochemical
systems. We develop physics-based continuum-level thermodynamic and kinetic models
for technologies such as solid oxide fuel cells, carbon capture and other chemical
systems; we also develop statistical methods that enable the use of these models
at industrial scales. The multi-scale methods we develop draw on data generated
by experiment as well as atomistic and quantum calculations.