{"id":2,"date":"2021-03-16T18:21:31","date_gmt":"2021-03-16T18:21:31","guid":{"rendered":"https:\/\/sciences.ucf.edu\/physics\/duyle\/?page_id=2"},"modified":"2025-09-30T23:03:54","modified_gmt":"2025-10-01T03:03:54","slug":"sample-page","status":"publish","type":"page","link":"https:\/\/sciences.ucf.edu\/physics\/duyle\/","title":{"rendered":"Computational Materials for Energy Technologies"},"content":{"rendered":"

The CoMET<\/strong> research group’s interests focus on the understanding of the fundamental aspects, at the atomistic scale level, that affect and control the behavior of novel energy materials for electronic- and energy-related applications and on the development, implementation, and application of computational methods that are capable of accurately predicting properties of materials. We employ atomistic simulation techniques such as ab initio<\/em> and classical molecular dynamics, density functional theory (DFT)-based methods, machine learning, and multiscale approaches like kinetic Monte Carlo and microkinetic modeling to bridge atomistic simulations with realistic conditions.<\/p>\n\n

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Energy materials are at the heart of technologies that power our future\u2014from clean energy generation to advanced electronics. The CoMET<\/strong> group is dedicated to uncovering the fundamental behaviors of energy materials to inform the design of innovative materials<\/strong> for next-generation applications.<\/p>\n\n\n\n

We explore a wide range of research areas, including:<\/p>\n\n\n\n