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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.

John Shimanek

6th year PhD student. His research lays at the intersection of atomistic calculations with deformation and crystal plasticity finite element methods.

Hui Sun

5th year PhD student. Hui is working on thermodynamic property modeling in Cr-Fe-Mo-Nb-Ni alloys using the CALPHAD method.

ALEXANDER RICHTER

3rd 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.

Dr. Shun-li Shang

Research Professor of Materials Science. He focuses on computational thermodynamics, ab-initio methods, and phonon calculations.

Cole Britt

6th year PhD student. He studies how processing and geometry impact properties in additively manufactured lattice structures.

Rushi gong

4th year PhD student. Rushi is currently focused on studying the stability of intermetallic catalysts by using the CALPHAD method.

Zhening Yang

3rd 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.

Adam M. Krajewski

5th year PhD Student. His research focuses on Machine Learning, AI, and data curation techniques in Materials Science, as well as high-entropy materials including RHEAs.

SHUANG LIN

4th 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.

Luke Myers

1st year PhD student. Luke is working on ab initio prediction of material properties with Zentropy Theory by combining DFT with statistical thermodynamics.

Ricardo Amaral

3rd year PhD student who recently joined us. 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.