Professor Szymanski’s research integrates computation, machine learning, and in-situ characterization to understand and control how inorganic materials form and transform. His group develops models that link atomic-scale diffusion, nucleation, and interfacial dynamics to synthesis outcomes and performance in energy technologies such as batteries, fuel cells, and hydrogen production. By combining density functional theory, machine learning potentials, and kinetic Monte Carlo simulations with high-temperature X-ray diffraction, his lab bridges simulation and experiment to design sustainable synthesis routes and accelerate materials discovery.

1. Szymanski et al., “An autonomous laboratory for the accelerated synthesis of novel materials.” Nature 624, 86-91 (2023).
2. Szymanski et al., “Quantifying the regime of thermodynamic control for solid-state reactions during ternary metal oxide synthesis.” Science Advances 10, eadp3309 (2024).
3. Zeng, Szymanski, et al., “Selective formation of metastable polymorphs in solid-state synthesis.” Science Advances 10, eadj5431 (2024).
4. Szymanski and Bartel, “Establishing baselines for generative discovery of inorganic crystals.” Materials Horizons 12, 8000-8011 (2025).
5. Wang, Szymanski, et al., “Direct Lithium Extraction from Spodumene through Solid-State Reactions for Sustainable Li2CO3 Production.” Inorganic Chemistry 63, 13576-13584 (2024).
6. Szymanski et al., “Adaptively driven X-ray diffraction guided by machine learning for autonomous phase identification.” Npj Computational Materials 9, 31 (2023)

• [Meet the Autonomous Lab of the Future | Lawrence Berkeley National Lab (2023)
• [Energy-Saving, Acid-Free, Hard-Rock Lithium Extraction | Advanced Light Source (2025)

• Ph.D. in Materials Science and Engineering, UC Berkeley, 2024
• B.S. in Physics and Mathematics, University of Toledo, 2019

• Didier de Fontaine Award in Theory and Computation (2024)
• Jane Lewis Fellowship for Research in Mining (2023)
• Vedensky Award in Process Metallurgy (2023)
• National Science Foundation Graduate Research Fellow (2019)