Dr. Kaufman is a Research Scientist in the Quantum Simulations Group. His research primarily focuses on modeling thermodynamic and kinetic properties of multicomponent crystals using first-principles statistical mechanical methods.

As a developer of the CASM code, he is an expert in constructing, training, and utilizing cluster expansion surrogate models that enable energetics calculated from density functional theory to drive highly efficient on-lattice (kinetic) Monte Carlo simulations. He employs these techniques to study phase stability, diffusion mechanisms, and structural evolution of various materials such as oxide electrodes used in batteries and electrolyzer cells for hydrogen production. By incorporating relevant operating conditions, he aims to connect atomistic simulations to experimental and mesoscale modeling efforts.

Dr. Kaufman is broadly interested in understanding degradation of materials for energy and structural applications, as well as developing improved modeling approaches that leverage machine-learned interatomic potentials.

Ph.D., Materials, University of California, Santa Barbara, CA, 2022

B.S., Physics, Harvey Mudd College, Claremont, CA, 2017

Google Scholar profile

Selected publications:

J. L. Kaufman, K. D. Smith, T. W. Heo, N. D. Keilbart, B. C. Wood, and P. Xiao. Chromium versus aluminum: Impact of nickel alloy composition and interfacial kinetics on high-temperature passivating oxide formation. Journal of the American Chemical Society 147, 42287–42298 (2025).

H. S. Slomski, J. L. Kaufman, M. J. Dzara, N. A. Strange, C. Priest, J. L. Hartvigsen, N. Kane, M. Casteel, B. C. Wood, D. S. Ginley, K. E. Kweon, B. P. Gorman, and S. Shulda. Understanding (La,Sr)(Co,Fe)O_3−δ phase instability within SOECs using a combined experimental and atomistic modeling approach. ACS Physical Chemistry Au 5, 207–218 (2025).

B. Puchala, J. C. Thomas, A. R. Natarajan, J. G. Goiri, S. S. Behara, J. L. Kaufman, and A. Van der Ven. CASM — A software package for first-principles based study of multicomponent crystalline solids. Computational Materials Science 217, 111897 (2023).

K. E. Wyckoff, J. L. Kaufman, S. W. Baek, C. Dolle, J. J. Zak, J. Bienz, L. Kautzsch, R. C. Vincent, A. Zohar, K. A. See, Y. M. Eggeler, L. Pilon, A. Van der Ven, and R. Seshadri. Metal-metal bonding as an electrode design principle in the low-strain cluster compound LiScMo₃O₈. Journal of the American Chemical Society 144, 5841–5854 (2022).

J. L. Kaufman and A. Van der Ven. Cation diffusion facilitated by antiphase boundaries in layered intercalation compounds. Chemistry of Materials 34, 1889–1896 (2022).

J. L. Kaufman and A. Van der Ven. Antiphase boundary migration as a diffusion mechanism in a P3 sodium layered oxide. Physical Review Materials 5, 055401 (2021). Editors' Suggestion.

J. L. Kaufman and A. Van der Ven. Ordering and structural transformations in layered K_xCrO₂ for K-ion batteries. Chemistry of Materials 32, 6392–6400 (2020).

J. L. Kaufman, J. Vinckevičiūtė, S. K. Kolli, J. G. Goiri, and A. Van der Ven. Understanding intercalation compounds for sodium-ion batteries and beyond. Philosophical Transactions of the Royal Society A 377, 20190020 (2019).

J. L. Kaufman and A. Van der Ven. Na_xCoO₂ phase stability and hierarchical orderings in the O3/P3 structure family. Physical Review Materials 3, 015402 (2019).

• University of California President's Lindau Nobel Laureate Meetings Fellowship, 2025
• Best Oral Presentation Award, Materials Research Society Spring Meeting, 2021
• Department of Energy Computational Science Graduate Fellowship, 2017–2021