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Computational Engineering of Optoelectronic Materials

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Welcome to the Wang Materials Group at the University of Texas at Austin!

Our group utilizes and deploys computational methods to engineer the optical, electronic, and transport properties of materials in energy sustainability technologies. Enabled by high performance computing (HPC), we seek to elucidate and predict the materials properties at the microscopic level using first-principles calculations, drive the exploration of novel materials platforms, and create strategies that directly couple to/guide experiments. In particular, we look to understand and harness defects in materials for optoelectronic devices. Research in the group is highly interdisciplinary and draws upon fields such as chemical engineering, materials science, and solid-state physics.

Current research goals are focused on catalysis, energy conversion, and next-generation computing applications.

Throughout our research and teaching efforts, we strive to create and foster a diverse, equitable, and inclusive environment.

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Our Research

We study extended semiconductor systems involved in catalysis and next-generation computing technologies. We currently are thinking about: 1) mixed transition metal electrocatalysts, 2) semiconductor-aqueous interfaces, and 3) perovskite oxides in neuromorphic computing.

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Our Publications

View recent and past publications. Listed in reverse chronological order.

Image credit: Peter Allen

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Group News

An archive of news related to our research, our team, and the campus. Find out what has been happening in the group.

Past Projects Gallery