About Me
My expertise lies at the intersection of chemistry, physics, and machine-learning. I care about the science and technology that empowers humans to live more fulfilling lives. With extensive experience in computational materials science and a strong foundation in machine learning methods, I develop and apply novel approaches to solve complex materials challenges that can transform industries and human experiences.
Scientific Highlights
Sept. 2024 - This work challenged the assumed surface structures of nanocatalysts using machine learned force fields.
Read preprintSept. 2024 - We provide a multi-tier machine learning approach that can directly probe activity, selectivity, and deactivation mechanisms of bimetallic catalysts.
Read preprintMay 2024 - Enabled large-scale molecular dynamics simulations to describe the thermodynamics and time evolution of gold surfaces.
Read publicationJan. 2024 - Provided in silico access to defect dynamics in metallurgically relevant systems.
Read preprintSept. 2022 - Automated selection of reaction events and diverse data using Gaussian Processes.
Read publicationApr. 2022 - Acheived quantum-mechanically accurate reactive molecular dynamics at the scale of 0.5 trillion atoms.
Read preprintScientific Publications
Visit my Google Scholar for a complete list of publications.
Technical Expertise
Machine Learned Force Fields
- FLARE (Gaussian Process regression)
- Allegro (PyTorch-based graph neural network)
- NequIP (message-passing graph neural network)
- MACE (message-passing graph neural network)
- MatterSim
- ORB
Density Functional Theory & Quantum Chemistry Codes
- VASP
- Quantum Espresso
- CASTEP
- Gaussian
- GPAW
Atomistic Simulation and Cheminformatics Software
- Atomic Simulation Environment (ASE)
- LAMMPS
- Pymatgen
- Materials Project API
- Ovito API
- Blender
- GaussView
- Jmol
Large Language Models and Hosting Services
- ChatGPT
- Claude & Claude Code API
- Gemini
- Perplexity
- Hugging Face
Cloud Computing, Data Storage, and Workload Managers
- Google Cloud Platform
- Amazon Web Services
- Oracle Cloud
- DigitalOcean
- Rackspace
- Rune - Energy
- Cloudflare (r2 storage)
- rsync.net
- SkyPilot
- dstack
- Weights & Biases
Programming Languages, Database and ML Frameworks/Packages
- Python
- Bash
- Git
- HTML
- TeX & LaTeX
- Fortran
- PyTorch
- scikit-learn
- JSON
Education & Experience
Select Awards
- 2024 - American Chemical Society Computers in Chemistry Division's Best Oral Presentation at the Fall National Meeting
- 2021 - International Precious Metals Institute Metalor Student Award
- 2020 - National Science Foundation Graduate Research Fellowship
- 2019 - Winston Churchill Scholarship
- 2019 - University of Utah College of Science Undergraduate Research Scholar Award Recipient
- 2018 - Student of the Year in the University of Utah American Chemical Society Division of Physical Chemistry
- 2018 - Barry M. Goldwater Scholarship
Invited Talks
- August 2025 - Psi-k Conference, Lausanne, CH, Emerging artificial intelligence methods for computational materials discovery
- March 2025 - American Chemical Society Spring Meeting, San Diego, CA, Energy & Fuels Division
- August 2024 - Toyota Research Institute, Los Altos, CA, Accelerated Materials Design & Discovery Seminar
- April 2024 - Institute for Mathematical and Statistical Innovation, Chicago, IL, Machine Learning Force Fields Workshop
- April 2024 - Argonne Center for Nanoscale Materials, Lemont, IL, Theory and Modeling Seminar
- August 2023 - American Chemical Society Fall Meeting, San Fransisco, CA, Catalysis Division
Professional Responsibilities
- 2024-Present - Reviewer for Nature Portfolio Journals (npj Computational Materials & Nature Catalysis)
- 2018-Present - Member of the American Chemical Society
- 2021-2024 - Member of the American Physical Society
- 2021-2024 - Member of the Materials Research Society
- 2021-2025 - Harvard University, Graduate student research mentor
- Fall 2022 - Harvard University, Teaching fellow for CHEM 160, "The Quantum World"
- Spring 2021 - Harvard University, Teaching fellow for PS 11, "Frontiers and Foundations of Modern Chemistry: A Molecular and Global Perspective"
Personal Interests
Beyond my research, I'm an avid mountain biker and travel enthusiast, always seeking new experiences that broaden my perspective.