Samuel M. Blau

1. A foundation model for atomistic materials chemistry
   2023/12/29 by Ilyes Batatia, Batatia, Ilyes, Philipp Benner +182 · 5 voices · 152 citations
   Materials Science · Decision Sciences · #physics.chem-ph #cond-mat.mtrl-sci
2. The Open Molecules 2025 (OMol25) Dataset, Evaluations, and Models
   2025/05/13 by Daniel S. Levine, Levine, Daniel S., Muhammed Shuaibi +43 · 6 voices · 28 citations
   #physics.chem-ph
3. Foundation Models for Atomistic Simulation of Chemistry and Materials
   2025/03/13 by Eric Chung‐Yueh Yuan, Yuan, Eric C. -Y., Yunsheng Liu +25 · 9 citations
   Chemistry · Engineering · Materials Science · #Advanced Materials Characterization Techniques #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Machine Learning in Materials Science #Radioactive element chemistry and processing
4. A database of molecular properties integrated in the Materials Project
   2023/01/01 by Evan Walter Clark Spotte‐Smith, Orion Cohen, Samuel M. Blau +9 · 1 voice · 2 citations
   Computer Science · Materials Science · #Computational Drug Discovery Methods #Machine Learning in Materials Science #X-ray Diffraction in Crystallography
5. MLIP Arena: Advancing Fairness and Transparency in Machine Learning Interatomic Potentials via an Open, Accessible Benchmark Platform
   2025/09/25 by Yuan Chiang, Chiang, Yuan, Tobias Kreiman +25 · 8 citations
   Computer Science · Medicine · Social Sciences · #Artificial Intelligence in Healthcare and Education #Chemical Physics (physics.chem-ph) #Computational Engineering #Ethics and Social Impacts of AI #Explainable Artificial Intelligence (XAI) #FOS: Computer and information sciences #FOS: Physical sciences #Finance #Materials Science (cond-mat.mtrl-sci) #and Science (cs.CE)
6. RNMC: kinetic Monte Carlo implementations for complex reaction networks
   2024/12/17 by Laura Zichi, Daniel Barter, Eric Sivonxay +5 · 1 voice · 1 citation
   Chemical Engineering · Engineering · Materials Science · #Advanced Memory and Neural Computing #Catalysis and Oxidation Reactions #Machine Learning in Materials Science