Yi Cao’s paper, “Migration as a Probe: A Generalizable Benchmark Framework for Specialist vs. Generalist Machine-Learned Force Fields,” has been selected for a Spotlight Presentation at the AI4Mat Workshop, NeurIPS 2025 (top ~10% of accepted papers). The work introduces a new paradigm for evaluating ML force fields—combining thermodynamic and kinetic Continue Reading
New Publications
Processing Matters: AI + Materials Processing takes the spotlight in a Nature Reviews Materials Commentary!
Our group’s Comment piece, “A Call to Elevate the Role of Processing in AI-Driven Materials Design,” has been accepted in Nature Reviews Materials! 🎉 This short piece was written by Johns Hopkins authors: Sreenivas Raguraman, Adam Griebel, Dr. Maitreyee Priyadharshini, Prof. Paulette Clancy, and Prof. Timothy Weihs We highlighted the vital but often overlooked role Continue Reading
Our New Paper has been Selected as Editor’s Choice
There is an overwhelming selection of optimal species and processing conditions to fabricate hybrid organic-inorganic perovskite (HOIP) thin films via solution processing. This makes it attractive to use computational methods to narrow our search to those species that produce high quality films. Our new paper, led by Ford Fellow Blaire Sorenson, provides Continue Reading
New Paper on Modeling Lithium Extraction from Geothermal Brine
Worldwide demand for lithium is increasing rapidly, thanks to its prominence in battery technologies and the growing electric vehicle market. Our new paper addresses a way to extract lithium selectively from brine, an attractive alternative to current mining sources. Through a productive collaboration with Prof. Jefferson W. Tester and Dr. Arna Pálsdóttir Continue Reading