Santanu Chaudhuri

Computational Modeling and Simulations for Connecting Chemistry, Transport and Phase Transitions in nano-to-microscale. Students with computational materials science, physics, chemistry, manufacturing science and all engineering background are all welcome. The modeling and simulations research focus on atomistic simulation techniques to understand the dynamics of phase transformation, transport and chemical reactions in condensed matter. Current research areas include investigations of dynamic changes due to pressure, temperature, electric field and dynamic loading (shock and shear) using atomistic and mesoscale simulations for connecting atoms-to-grain level changes in materials. We leverage petascale supercomputing resources for developing open source tools for data-enabled computational material discovery. The work is conducted in close collaboration with Industry and Argonne National Lab.