Materials Computation, Theory & Design

Computational methods already play a central role in many materials studies and will only become more pervasive as computer power advances in the decades ahead. We are engaged in the development and application of methods to compute the atomic and electronic structure of materials. Recent applications include materials for electronic applications, nano-electromechanics and energy. We are also leveraging new developments in statistics and machine learning to understand complex simulations and accelerate the design of materials.