12 entries · Atom Updates Jun 2026 Building an Autonomous Discovery Loop: DToR + T³ + RAPIDS Three threads of our work from the past two years are now mature enough to wire together into one autonomous discovery loop for the data-scarce, un... Jun 2026 RAPIDS Accepted at ICML 2026 AI4Physics Workshop Our paper “Geometry, Not Energy Surface, Drives the Neutral MLIP–DFT Gap in Atomistic Interaction Surrogates”, the study behind RAPIDS, has been ac... Jun 2026 Schmidt Seed Fund Award: PFAS-Selective Membrane Interfaces I’ve been awarded a 2026 AI in Science Schmidt Fellowship Seed Fund ($33K, as PI) for the project “AI-Guided Discovery of PFAS-Selective Membrane I... May 2026 T³ Framework Accepted to SIGKDD 2026 AI4Science (and ICLR 2026 AI4Mat Spotlight) Our paper proposing the Text-Twin-Translation (T3) framework has been accepted to the SIGKDD 2026 AI4Science Track (CORE A*). The same work was a S... Dec 2025 Two Papers at NeurIPS 2025 Workshops Two co-first-authored papers accepted at NeurIPS 2025 workshops, both focused on making AI practical for materials and experimental discovery. AI4... May 2025 BRAINIAC Progress Update Submitted our NSF ACCESS progress report for the BRAINIAC project. Summary of current status: Completed: Published proof-of-concept as MSDE cov... May 2025 MSDE Cover Article on Neuromorphic Sensor Design Our paper on neuromorphic spiking graph neural networks for FET sensor design has been published as the cover article in Molecular Systems Design &... Apr 2025 Paper Published in Science Advances Our work on multi-stage machine learning for catalyst discovery is now published in Science Advances. The paper combines data mining, active learn... Oct 2024 NSF ACCESS Allocation for BRAINIAC Received an NSF ACCESS allocation (1.5M credits) to support the BRAINIAC project. The computing resources will enable large-scale LLM processing of... Oct 2024 Review Published in Chemical Society Reviews Our comprehensive review on machine learning for electrocatalyst design has been published in Chemical Society Reviews. The article surveys ML appl... Jul 2024 Preprint: Multi-Stage ML for Catalyst Discovery Posted our preprint on multi-stage machine learning for electrocatalyst discovery. The work combines data mining, active learning, and domain adapt... Sep 2023 Joining UChicago and Argonne Started as an Eric and Wendy Schmidt AI in Science Fellow at the University of Chicago, with a joint appointment as Resident Associate at Argonne N...