Paul R Kent
Senior R&D Staff
See http://web.ornl.gov/~kentpr for detailed and up to date information.
University of Cambridge Ph.D. 1999 Physics
University of Bath B.Sc. 1996 Applied Physics
My research is focused on predicting and explaining the properties of materials using computer simulation, chiefly using atomistic and quantum-mechanics based methods. These methods use little or no experimental data, making them especially valuable for the study of new materials and devices, and for computing properties that are particularly difficult or expensive to access experimentally. Materials and molecules of interest include all systems of energy relevance (batteries, supercapacitors, catalysis, superconductors, thermoelectrics, structural materials, photovoltaics...). Many of these system pose an acute challenge to established theory and simulation methods, greatly limiting our ability to predict and optimize their properties.