The Open Catalyst 2025 (OC25) Dataset and Models for Solid-Liquid Interfaces, Preprint 2025
UMA: A Family of Universal Models for Atoms, Preprint 2025
The Open Molecules 2025 (OMol25) Dataset, Evaluations, and Models, Preprint 2025
CatTSunami: Accelerating Transition State Energy Calculations with Pretrained Graph Neural Networks, ACS Catalysis 2025
Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields, TMLR 2024
Open Materials 2024 (OMat24) Inorganic Materials Dataset and Models, Preprint 2024
Open Catalyst Experiments 2024 (OCx24): Bridging Experiments and Computational Models, Preprint 2024
AdsorbML: A Leap in Efficiency for Adsorption Energy Calculations using Generalizable Machine Learning Potentials, npj Comput. Mater. 2023
The Open Catalyst 2022 (OC22) Dataset and Challenges for Oxide Electrocatalysts, ACS Catalysis 2023
The Open Catalyst 2020 (OC20) Dataset and Community Challenges, ACS Catalysis 2021
Research Experience
Research Engineer at FAIR, Meta, focusing on deep learning applications in molecules and materials discovery.
Education
PhD in Chemical Engineering, Advisor: Zachary W. Ulissi
Background
A Research Engineer on the FAIR Chemistry team. His current research focuses on deep learning applications to addressing broad challenges in molecules and materials discovery. He is particularly fond of building open datasets, frameworks, and tools to accelerate community research. Before that, he completed his PhD in Chemical Engineering with Zachary W. Ulissi.