We are a computational materials theory group that is led by Prof. Daryl C. Chrzan and housed within the Department of Materials Science and Engineering of the University of California at Berkeley and the Materials Sciences Division of Lawrence Berkeley National Laboratory.
Our work focuses on connecting predictions of the atomic scale properties of matter to make predictions for nano-, meso- and macroscale properties of materials. To do so we employ a variety of tools ranging from density functional theory based techniques to continuum elasticity theories.
Current research projects include studying the effects of impurities on the mechanical properties of titanium and rhenium, exploring of the origins of electroplasticity in structural materials, nanomanufacturing of 2D van der Waals bonded materials using automated exfoliation, computational materials design of novel structural materials, and studying the nucleation and growth of kidney stones.
We gratefully acknowledge the support of the Office of Naval Research, the National Science Foundation, and the Department of Energy.