We have several crosscutting themes that will be essential to achieve the Army's goal of virtual design and optimization of novel electronic materials and devices. These crosscutting themes are areas/methodologies that are not specific to projects within Areas A-C, but rather can be applied to several projects within the entire research realm. These themes include ab-initio density functional theory (DFT) calculations that will be used as a starting point for all materials within the MSME program, extending current state-of-the-art multiscale modeling tools (e.g. coarse-graining) to the next generation of computing and simulation capabilities, and validation and verification (V&V) and uncertainty quantification (UQ) of simulations, codes, and materials.
Faculty Lead: Dr. Mike Kirby (University of Utah)
Valeria Molinero (University of Utah)
Giulia Galli (University of California-Davis)
George Karniadakis (Brown University)
Dmitry Bedrov (University of Utah)
Martin Berzins (University of Utah)