Our department has one of the country’s most productive programs in computational science and engineering, focused on applications in the areas of nanomaterials, biology, and energy. Our expertise covers a wide variety of state-of-the-art methods including lubrication at the nanoscale (relevant to hard disk drives and load-bearing joints in the human body), energy storage in supercapacitors (composed of ionic liquid electrolytes and nanoporous electrodes), self-assembly of lipids involved in the barrier function of skin, and deducing metabolic pathways 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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