About Me
I’m a PhD candidate in the Materials Science Department at University of California, Berkeley. My research is performed at Lawrence Berkeley National Laboratory, where I work on simulation development and machine learning for advancing synthesis recipe design for solid-state materials in the context of self-driving labs. During my PhD I have also worked for X, the moonshot factory (Google’s semi-secret research lab), where I worked on AI-for-science projects, and at the National Renewable Energies Laboratory where I worked on machine learning methods for managing data from a high-throughput combinatorial sputtering lab for solar cell material discovery. In my free time, I try to spend as much time outside as possible - on most days that means running on our wonderful trails in Tilden and Strawberry Canyon. I also love reading, playing piano, traveling around California, and going to the climbing gym.
Research Interests
- AI for materials science: context management for research decision making, literature management, experimental result analysis and parsing
- Machine Learning: active learning machine learning potential training, MLIP use in investigations into kinetics of solid-state processes
- Solid-state Synthesis: precursor selection strategies, synthesis recipe design heuristics based on first principles calculations
- Simulation Design: chemical reaction networks, cellular automata, lattice modeling
- First Principles Calculations: density functional theory, molecular dynamics
News
- [Feb. 2026] I am awarded the UC Berkeley Department of Materials Science “Didier de Fontaine Student Award in Theory and Computation”
- [Oct. 2025] Our paper on a novel synthesis method for high-entropy alloy nanoparticles is published in Nature
- [Oct. 2025] Our python package for composite designed is published in the Journal of Open Source Software!
- [June. 2025] I spend the month in Linkoping, SE investigating the behavior of silica melts under high pressure
- [July. 2025] The second version of our computational materials science workflow software,
atomate2 is published in Digital Discovery
- [Jan. 2025] I start an AI PhD Residency at (Google) X, the moonshot factory
- [Dec. 2024] Our paper presenting a database of AIMD trajectories for amorphous configurations is published in npj Computational Materials
- [Dec. 2024] I am awarded the Kavli ENSI Graduate Student Fellowship
- [Nov. 2024] ReactCA solid-state simulation paper published in Chemistry of Materials
- [July. 2024] Pre-print of my paper about simulation solid-state synthesis uploaded to the arXiv.
- [Feb. 2024] My paper on my lattice simulation software, pylattica, is accepted by the Journal of Open Source Software!
Software
I develop open-source tools for computational materials science. See my software packages.
Selected Publications
See all publications here!
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Max C. Gallant, Matthew J. McDermott, Bryant Li, Kristin A. Persson
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Max C. Gallant, Kristin A. Persson
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Matthew J McDermott, Brennan C McBride, Corlyn E Regier, Gia Thinh Tran, Yu Chen, Adam A Corrao, Max C. Gallant, Gabrielle E Kamm, Christopher J Bartel, Karena W Chapman, Peter G Khalifah, Gerbrand Ceder, James R Neilson, Kristin A Persson
Services
Journal Reviewers