3 papers
cond-mat.mtrl-sci2026
Harnessing X-ray Absorption Spectroscopy Data through Multimodal Mining of Battery Literature
Tanjin He, Aikaterini Vriza, Logan Ward +7
X-ray absorption spectroscopy (XAS) is central to understanding the local electronic and atomic structure of materials, yet most published spectra remain inaccessible to data-drive…
cs.AI2026
CASCADE: Cumulative Agentic Skill Creation through Autonomous Development and Evolution
Xu Huang, Junwu Chen, Yuxing Fei +3
Large language model (LLM) agents currently depend on predefined tools or early-stage tool generation, limiting their adaptability and scalability to complex scientific tasks. We i…
cond-mat.mtrl-sci2025
Cross-functional transferability in universal machine learning interatomic potentials
Xu Huang, Bowen Deng, Peichen Zhong +3
The rapid development of universal machine learning interatomic potentials (uMLIPs) has demonstrated the possibility for generalizable learning of the universal potential energy su…