Paul R. Kent

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 (quantum materials, superconductors, structural materials, energy storage…). Many of these systems pose an acute challenge to established theory and simulation methods, greatly limiting our ability to predict, understand, and optimize their properties. This motivates the development of new approaches, including those where all the approximations can in principle be tested, such as in the Quantum Monte Carlo approach. To view my most recent publications, I recommend using Google Scholar.