2 papers
cs.AI2025
DREAMS: Density Functional Theory Based Research Engine for Agentic Materials Simulation
Ziqi Wang, Hongshuo Huang, Hancheng Zhao +4
Large language model (LLM) agents can execute long-horizon scientific workflows, but their numerical outputs are difficult to trust: agents lose context, game verification checks,…
cond-mat.mtrl-sci2025
CLOUD: A Scalable and Physics-Informed Foundation Model for Crystal Representation Learning
Changwen Xu, Shang Zhu, Venkatasubramanian Viswanathan
The prediction of crystal properties is essential for understanding structure-property relationships and accelerating the discovery of functional materials. However, conventional a…