Our faculty working in computational science and engineering focus on applications in the areas of nanomaterials, biology, and energy. Our expertise covers using state-of-the-art methods to areas of catalysis and energy storage (batteries, supercapacitors), lubrication at the nanoscale (hard disk drives, load-bearing joints in the human body), self-assembly (barrier functions of skin), protein engineering (virology), and metabolism (pathway establishment through computational analysis of isotope fluxes). To address problems where multiple length and/or time scales are relevant, we integrate these approaches with appropriate coarse-graining strategies. Many of these research activities are housed within the interdisciplinary Multiscale Modeling and Simulation (MuMS) research facility and rely on computational resources, both in-house and those provided by Vanderbilt’s Advanced Computing Center for Research & Education (ACCRE) and Department of Energy supercomputing facilities.
Faculty Associated With This Research Area
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Ivelin Georgiev
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