Jonathan Li
Troy, Michigan, United States
Summary
👤
Senior🎓
Top SchoolJonathan Li is a PhD candidate and computational materials scientist with nine years of research experience modeling thermodynamics and kinetics of transition metal nitrides and battery anodes. At UC Santa Barbara’s Van der Ven Group he combined ab initio calculations, cluster expansions, and machine learning to link atomic-scale phase stability and diffusion to high-temperature material behavior and Na/Li battery performance. His work spans anion redox chemistry, thermal and strain effects on ion diffusion, and exploration of AI-driven interatomic potentials for accelerated materials discovery. Earlier roles at Michigan, Berkeley Lab, and Caltech reinforced his experimental characterization and thin-film deposition skills, giving him a rare blend of computational depth and hands-on materials know-how. Based in Troy, Michigan, he brings both rigorous academic training and practical R&D experience to tackle real-world energy materials challenges. Notably, his thesis covers refractory Hf/Zr-nitrides and Na-battery materials—areas where linking first-principles insights to macroscopic behavior is especially impactful.
10 years of coding experience
6 years of employment as a software developer
Bachelor’s Degree, Materials Science, Bachelor’s Degree, Materials Science at University of MichiganDoctor of Philosophy - PhD, Materials Science, Doctor of Philosophy - PhD, Materials Science at UC Santa Barbara
English, Chinese, Japanese
Github Skills (11)
spin8
diffraction7
symmetry7
monte-carlo7
mechanics7
fenics7
density-functional-theory6
snl-applications6
dft6
quantum-mechanics5
transformation-matrix1
Programming languages (3)
Github contributions (5)
jli5373/vasp_scripts
Apr 2021 - Aug 2022
Contributions:12 pushes, 1 branch in 1 year 3 months
jli5373/chemical_potentials
Apr 2023 - Aug 2024
Contributions:5 pushes, 3 branches in 1 year 4 months
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