7 citations · 16 across the 8 of their papers we have counts for
3 papers · 1 filter
LightPFP: A Lightweight Route to Ab Initio Accuracy at Scale
Wenwen Li, Nontawat Charoenphakdee, Yong-Bin Zhuang +5
Atomistic simulation methods have evolved through successive computational levels, each building upon more fundamental approaches: from quantum mechanics to density functional theo…
Efficient Crystal Structure Prediction Using Universal Neural Network Potential with Diversity Preservation in Genetic Algorithms
Takuya Shibayama, Hideaki Imamura, Katsuhiko Nishimra +4
Crystal structure prediction (CSP) is crucial for identifying stable crystal structures in given systems and is a prerequisite for computational atomistic simulations. Recent advan…
A Multi-agent Framework for Physical Laws Discovery
Bo Hu, Siyu Liu, Beilin Ye +6
Discovering explicit physical laws has traditionally depended on human intuition and domain expertise. Recent advances in artificial intelligence, particularly large language model…