Welcome to Dzade's Materials & Minerals Theory (MMT) Group website. We are a multidisciplinary research group in the John and Willie Leone Family Department of Energy and Mineral Engineering at The Pennsylvania State University. The MMT Group sits on the interface of Physical Chemistry, Applied Physics, Computer Science, Machine Learning, Materials Science and Engineering, and specializes in the development and application of advanced theoretical methods and computational approaches to unravel structure-property-performance relationships in solid-state materials that are of interest for many applications in renewable energy generation, including but not limited photovoltaics, heterogeneous catalysis, batteries, environmental remediation, and critical minerals extraction. We aim to harness the predictive capacity of first-principles calculations to gain a detailed understanding of the fundamental science to engineer and rationally design new functional materials with unparalleled performance.
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Funding Agencies & Partners
Dr. Dzade Conducts Literature Review Online Training
Dr. Dzade Delivers EME Seminar
"Accelerating Advanced Energy Materials Design and Discovery via High-Performance Computing"
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The Institute for Computational and Data Sciences is one of seven interdisciplinary research institutes within Penn State’s Office of the Senior Vice President for Research. ICDS brings researchers together to develop and apply innovative, high-performance computation methods. ICDS supports faculty from dozens of departments in nearly all of Penn State’s twenty-four campuses.
The Institute of Energy and the Environment (IEE) connects and supports interdisciplinary teams of researchers that are solving some of the world’s most difficult energy and environmental challenges.
