Publications
First-Principles Statistical Mechanics Study of Magnetic Fluctuations and Order–Disorder in the Spinel LiNi0. 5Mn1. 5O4 Cathode." Chemistry of Materials (2025).
"Chemomechanics in alloy phase stability." Physical Review Materials 8 (2024): 033801.
"Fundamental Thermodynamic, Kinetic, and Mechanical Properties of Lithium and Its Alloys." Chemistry of Materials 36 (2024): 7370-7387.
"Role of Short-Range Order on Diffusion Coefficients in the Li–Mg Alloy." Chemistry of Materials 36 (2024): 11236-11245.
"Thermodynamic and Kinetic Properties of the Lithium–Silver System." Chemistry of Materials (2024): null.
"CASM—A software package for first-principles based study of multicomponent crystalline solids." Computational Materials Science 217 (2023): 111897.
"Redox Mechanisms, Structural Changes, and Electrochemistry of the Wadsley–Roth Li x TiNb2O7 Electrode Material." Chemistry of Materials 35 (2023): 9657-9668.
"Ferroelectric HfO 2 and the importance of strain." Physical Review Materials 6 (2022): 054403.
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