• Simon Phillpot, Adiabatic Nonlinear Dynamics in Models of Quasi-one-dimensional Conjugated Polymers, University of Florida, May 1985. 1985_Phillpot_dissertation

Phillpot Group Doctoral Dissertations

• Taku Watanabe, Thermal Transport in Uranium Dioxide and Diamond by Atomic Level Simulations, May 2008. (2008_Watanabe_ Dissertation)
• Dilpuneet Singh Aidhy, Evolution of Intrinsic Point Defects in Fluorite-based Materials: Insights from Simulation, May 2009. (2009_Aidhy_Dissertation)
• Peter R. Barry, Elucidation of Atomic Scale Mechanisms for Polytetrafluoroethylene Tribology using Molecular Dynamics Simulation, December 2009. (2009_Barry_Dissertation)
• Rakesh K. Behera, Effects of Surfaces, Domain Walls and Grain Boundaries on Ferroelectricity in Lead Titanate using Atomic Scale Simulations, December 2009. (2009_Behera_Dissertation)
• Haixuan ‘Stephen’ Xu, From Electronic Structure of Point Defects to Physical Properties of Complex Materials Using Atomic-Level Simulations, May 2010. (2010_Xu_Dissertation)
• Donghwa Lee, Structure and Dynamics of Interfaces in Organic and Inorganic Materials using Atomic Level Simulation, August 2010. (2010_Lee_Dissertation)
• Priyank Shukla, Thermal Transport in Selected Ceramic Materials for Potential Application as Inert Matrix Fuel or Thermal Barrier Coating using Atomic Level Simulation, August 2010.  (2010_Shukla_Dissertation)
• Jasmine Davenport Crenshaw, Computational Investigations of Organic Materials for Hybrid Nanodevice and Optoelectronic Applications, May 2011. (2011_Crenshaw_Dissertation)
• Dong-Hyun Kim, Computational Studies of Deformation in HCP Metals and Defects in a Lead-Free Ferroelectric Ceramic, August 2011. (2011_Kim_Dissertation)
• Tsu-Wu Chiang, Computation Studies of Vacancy and Void Defect Interactions in Polycrystalline UO₂, August 2014. (2014_Chiang_Dissertation)
• Bowen Deng, Thermal Transport at Dislocations and Interfaces by Atomistic Simulation, August 2014. (2014_Deng_Dissertation)
• Yangzhong Li, Molecular Dynamics Simulation of Defected Structures by COMB and EAM Potentials, August 2014. (2014_Li_Dissertation)
• Mark J. Noordhoek, Development of Classical Interatomic Potentials for Applications in Corrosion and Phase Transitions, August 2014. (2014_Noordhoek_Dissertation)
• Anuj Goyal, Multiscale Computational Modeling of Defects in Uranium Dioxide, August 2015. (2015_Goyal_Dissertation)
• Zizhe Lu, Mechanical Properties of Zirconium and Zirconia Systems by Molecular Dynamics Simulation, December 2015. (2015_Lu_Dissertation)
• Jackelyn Martinez, Methodologies and Tools for the Development of Empirical Potentials with Application for Nitrogen Containing Compounds, May 2016. (2016_Martinez_Dissertation)
• Brian Demaske, Transport and Phase Transitions in Ceramics and Amorphous Metals by Atomic-Level Simulation, December 2017 (2017_Demaske_Dissertation)
• Eugene J. Ragasa, Machine Learning Techniques for the Rational Design of Analytic Interatomic Potentials, August 2019 (2019_Ragasa_Dissertation)
• David L. Brown, Phase Properties of Semiconductor and Transition Metal Materials from Experimental and Computational Principles, December 2019 (2019_Brown_Dissertation)
• Shubham Pandey, Evolution of Alloys and Radionuclide Sequestration by First Principles Calculations, May 2020 (2020_Pandey_Dissertation)
• Michele L. Fullarton, Thermodynamics and Charged Defects in Nuclear Alloys and Semiconductor Materials from First Principles Calculations, August 2020 (2020_Fullarton_Dissertation)
• Linyuan Shi, Application of Atomistic Scale Simulations to Zirconium Hydride and Carbon-Based Materials, May 2021 (2021_Shi_Dissertation)
• Ximeng Wang, Study of Incorporating Cesium into Hexacyanoferrate Framework and Doped Materials for Water Splitting by Density Functional Theory, August 2023 (2023_Wang_Dissertation)
• Yuan Liu, Modelling of Radionuclide Sequestration by Metal-Organic Frameworks and Intercalation Process of Ferrocene into Vanadium Phosphate by Density Functional Theory, December 2023 (2023_Liu_Dissertation)
• R. Seaton Ullberg, Atomistic Simulation of Transition Metal Oxides and Layered Phyllosilicate Materials, May 2024 (2024_Ullberg_Dissertation)

Phillpot Group Master’s Theses

• Kun-Ta Tsai, Diffusion-controlled Kinetic Evolution of Radiation-induced Point Defects in Polycrystalline UO2 from Atomic-level Simulation, August 2010 2010_Tsai_MSThesis