Active Learning Paper Accepted at the NeurIPS 2026 AI4Mat Workshop
Our paper “Accelerating Materials Discovery with Active Thermodynamic Surface Shape Mapping” has been accepted at the AI for Accelerated Materials Design (AI...
Recent News
NAIRR Pilot Start-Up Award for Nested Sampling Selection of Fine-Tuning Data
Our project “Nested Sampling Selection of Fine-Tuning Data for Foundation Interatomic Potentials” has received a Start-Up award from the National Artificial ...
Manganese Sulfide Nanocrystal Paper Accepted in npj Computational Materials
Junchi Chen’s paper “Equilibrium Thermochemistry and Crystallographic Morphology of Manganese Sulfide Nanocrystals” has been accepted for publication in npj ...
New Preprint on Oxygen-Vacancy Energetics in Perovskites
Manish Kumar and Natalia Ali share first authorship of the new preprint “Local B-Site Chemistry Controls Oxygen-Vacancy Energetics in Ca–Ce–Ti–Mn Perovskites...
Sebastian Pujet Coauthors a Preprint on Transfer Learning for Defect Models
Sebastian Pujet coauthored the new preprint “Transfer Learning on Universal Interatomic Potential Embeddings Improves Generalization in Structure-Property De...