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, self-assembly, protein engineering, 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 Vanderbilt Center for Simulation, Computational-modeling, and AI-integrated Learning for Engineering Systems (SCALES) 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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Bin Ouyang
Adjunct Assistant Professor of Chemical and Biomolecular Engineering
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