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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.
ALEXANDER RICHTER
5th 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.
Philip Chamberlin
1st year PhD student. Philip is working on coefficient of thermal expansion estimation in refractory high entropy alloy systems and machine learning classification ZENN models.
Dr. Shun-li Shang
Research Professor of Materials Science. He focuses on computational thermodynamics, ab-initio methods, and phonon calculations.
Luke Myers
3rd year PhD student. Luke is working on ab initio and automated prediction of material properties with Zentropy Theory by combining DFT with statistical thermodynamics.
Ricardo Amaral
5th year PhD student. Ricardo works with CALPHAD and DFT methods for developing green fuels conversion, batteries and H2 storage and develops AI/ML tools.
Leon Hsiao
2nd year PhD student. Leon is working on machine learning prediction of high entropy alloy properties through language model embedding vectors
Research Fellows
Sanaa ismail
Nanotechnology Master’s Student specializing in DFT and ML-accelerated discovery of materials for green applications.
Attia Adel
ML Engineer & Systems Architect bridging CS and Physics to build intelligent frameworks for complex systems, transforming scientific abstractions into rigorous, high-precision digital solutions.
