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Linyuan Shi, a student in Dr. Simon Phillpot’s research group successfully defended his PhD dissertation on February 1st 2021 and will official graduate in May 2021. His dissertation is entitled “Application of Atomistic Scale Simulations to Zirconium Hydride and Carbon-based Materials” and is available at the following link:  2021_Shi_Dissertation

Michele Fullarton, a student in Dr. Simon Phillpot’s research group successfully defended her PhD dissertation on May 1st and will official graduate in August 2020. Her dissertation is entitled “Thermodynamics and Charged Defects in Nuclear Alloys and Semiconductor Materials from First Principles Calculations” and is available here

Group member Shubham Pandey successfully defended his PhD dissertation on March 11, 2020 and graduated in May 2020.He will begin a postdoc at Colorado School of Mines in July 2020. His work focuses on the the use of Density Functional Theory Calculations to characterize the thermodynamics and electronic structure of actinide-containing Metal Organic Frameworks (MOFs) […]

David Brown received his Ph.D. in December 2019. Jointly advised by Profs. Kevin Jones and Simon Phillpot, his work focused on defect structures in semiconductors from both computational and experimental perspectives. David is now an NRC postdoc at the Air Force Research Lab in Albuquerque, New Mexico.

Prof. Haixuan ‘Stephen’ Xu, has been promoted to Associate Professor with tenure in the Department of Materials Science and Engineering at the University of Tennessee. Stephen received his Ph.D. in the group in 2010, after which he postdoced at Oak Ridge National Laboratory. He has been received an NSF Career Awards and a DOE Early […]

Group member Eugene Ragasa officially received his Ph.D. on August 9, 2019. The focus of his dissertation was the use of machine learning methods to rationally design ensembles of classical interatomic potentials. His dissertation is available at: Ragasa_Dissertation   His first paper on this topic is available at: https://iopscience.iop.org/article/10.1088/1361-651X/ab28d9    

M. J. Noordhoek, T. Liang (梁涛), Tsu-Wu Chiang (蔣祖武), S. B. Sinnott, and S. R. Phillpot, Mechanisms of Zr Surface Corrosion Determined via Molecular Dynamics Simulations with Charge-Optimized Many-Body (COMB) Potentials, Journal of Nuclear Materials 452, 285-295 (2014).