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Our Group
Dr. Zi-Kui Liu
Distinguished Professor of Materials Science and Engineering. Dr. Liu research spans broad range of computational methods and materials systems.
Adam M. Krajewski
Postdoctoral Researcher since 2024. His research focuses on Machine Learning, AI, and data curation techniques in Materials Science, as well as high-entropy materials.
ALEXANDER RICHTER
4th year PhD student co-advised by Dr. Liu and Dr. Beese. He works on computational modeling of Functionally Graded Materials (FGMs) and 3rd Gen of Pure Element Modeling.
Luke Myers
2nd year PhD student. Luke is working on ab initio and automated prediction of material properties with Zentropy Theory by combining DFT with statistical thermodynamics.
Dr. Shun-li Shang
Research Professor of Materials Science. He focuses on computational thermodynamics, ab-initio methods, and phonon calculations.
Rushi gong
5th year PhD student. Her research focuses on thermodynamic modeling of intermetallic catalysts and molten salts with uncertainty quantification.
Zhening Yang
4rd year PhD student. Co-advised by Dr. Liu and Dr. Beese, his research is in additive manufacturing techniques with focus on Functionally Graded Materials (FGMs)
Dr. Nigel Hew
Postdoctoral Researcher since 2023. He focuses on implementing Zentropy in a Python framework leveraging DFT, statistical mechanics, and ML.
SHUANG LIN
5th year Ph.D. student. His research currently is focusing on the computational study of Ni-based alloys and high entropy refractory alloys using DFT and Calphad method.
Ricardo Amaral
4th year PhD student. Ricardo has experience with CALPHAD and DFT methods for developing green fuels conversion, batteries and H2 storage. With us, he works on development of related software and AI/ML tools.
