David Srolovitz specializes materials theory, modeling, and simulations, with a particular emphasis on defects in crystals, interfaces such as grain boundaries, microstructure evolution, and the optoelectronic properties of materials. He is a Member of the US National Academy of Engineering and a Fellow of several organizations, including the Materials Research Society (MRS), The Minerals, Metals & Materials Society (TMS), ASM International, and the Institute of Physics.

Dr. Srolovitz has been recognized for his significant contributions to the field with the MRS Materials Theory Award. Throughout his career, he has held various prominent positions, including staff roles at Exxon Corporate Research and the Los Alamos National Laboratory, and served as the Executive Director of the Institute for High Performance Computing in Singapore. His academic tenure includes appointments at Princeton University, the University of Pennsylvania, the University of Michigan, Yeshiva University, and the City University of Hong Kong.

Dr. Subrahmanyam (Subbu) Pattamatta
Role: Research Assistant Professor
Research Interests: Material stability, numerical continuation applied to atomistic systems, martensitic phase transformations, artificial intelligence driven alloy design
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Dr. Tongqi Wen
Role: Research Assistant Professor
Research Interests: Machine learning potentials, atomistic simulations of defect properties, liquid and glass, AI for science
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Mr. Xiaoguo Gong
Role: PhD Student
Research Interests: Machine learning potentials and grain boundary simulations in fcc metals

Mr. Zhuoyuan Li
Role: PhD Student
Research Interests: Machine learning potentials and dislocations in bcc metals

Mr. Zhizi Guan
Role: PhD Student
Research Interests: Optical properties of transition metal dichalcogenides

Mr. Caihao Qiu
Role: PhD Student (Jointly supervised with Prof. Jian Han at City University of Hong Kong and Prof. Marco Salvalaglio at TU Dresden)
Research Interests: Grain boundary kinetics and microstructure evolution of polycrystals; front-tracking modelling, phase field simulation, molecular dynamics simulation

Ms. Beilin Ye
Role: PhD Student
Research Interests: DFT calculations on high-entropy materials

Mr. Siyu Liu
Role: PhD Student
Research Interests: Machine learning and large language model for alloy and perovskite materials

Miss. Xiaofan Shi
Role: PhD Student
Research Interests: Atomistic Simulations of Diffusion and Segregation at Grain Boundaries and interfacial diffusion control through doping

Dr. Jianqiu Liu
Role: Postdoctoral Research Fellow
Research Interests: CPFEM and MD simulations of void evolution in metallic materials

Dr. Yuewen Yang
Role: Postdoctoral Research Fellow
Research Interests: MDFT, TD-DFT and MD for energy conversion

Want to Join our group?
Role: PhD Student / Postdoctoral Research Fellow
Research Interests: Can choose from a wide variety of materials science related topics or you can propose your own ideas
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