About

Center for COmputational Mesoscale Materials Science (COMMS) is supported as part of the Computational Materials Sciences Program funded by the US Department of Energy, Office of Science, Basic Energy Sciences, under Award Number DE-SC0020145 (DOE Program Managers: Matthias Graf, Matthias.Graf@science.doe.gov, Dr. Claudia Mewes, Claudia.Mewes@science.doe.gov)

Vision, Mission, and Objectives

Vision: An interdisciplinary collaborative computational center to develop mesoscale computational models, efficient numerical algorithms for exascale simulations, and software experimentally validated for quantum and functional materials.

Mission: COMMS advances the basic mesoscale science of quantum and functional materials and develops open-source software for simulating the formation and responses of mesostructures in these materials to external stimuli towards accelerating their insertion into devices.

Objectives:

(1) to significantly expand the scope and capability of mesoscale computational models based on the phase-field method for understanding and predicting the formation and dynamical evolution of mesoscale structures in systems exhibiting complex polar and magnetic textures, metal-insulator transitions, superconductivity, and quantum Hall effect

(2) to develop new software modules and tools that will be deployed in the open-source environment under Q-POP (Quantum Phase-Field Open-Source Package) and parallelized to enable petascale and exascale computing for understanding mesoscale quantum phenomena towards accelerating materials insertion into next-generation neuromorphic computing chips, terahertz spintronic and magnonic devices, and superconducting qubits for quantum memories and transducers.