2 citations · 2 across the 1 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2025★ 2 cited
Crystalyse: a multi-tool agent for materials design
Ryan Nduma, Hyunsoo Park, Aron Walsh
We present Crystalyse, an open, provenance-enforced scientific agent for computational materials design of inorganic crystals that orchestrates tools for compositional screening, c…
cs.LG2025
Guiding Generative Models to Uncover Diverse and Novel Crystals via Reinforcement Learning
Hyunsoo Park, Aron Walsh
Discovering functional crystalline materials entails navigating an immense combinatorial design space. While recent advances in generative artificial intelligence have enabled the…
physics.chem-ph2025
MLIP Arena: Advancing Fairness and Transparency in Machine Learning Interatomic Potentials via an Open, Accessible Benchmark Platform
Yuan Chiang, Tobias Kreiman, Christine Zhang +11
Machine learning interatomic potentials (MLIPs) have revolutionized molecular and materials modeling, but existing benchmarks suffer from data leakage, limited transferability, and…