4 papers
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…
Matter to Mechanism: A Benchmark for AI Co-Scientists in Materials and Battery Research
Shashwat Sourav, Tanjin. He, Maria K. Y. Chan +2
AI co-scientists are increasingly used for scientific discovery, but current evaluations still do not test them on a key task: moving from a concrete scientific or technological pr…
Robust Machine Learning Inference from X-ray Absorption Near Edge Spectra through Featurization
Yiming Chen, Chi Chen, Inhui Hwang +9
X-ray absorption spectroscopy (XAS) is a commonly-employed technique for characterizing functional materials. In particular, x-ray absorption near edge spectra (XANES) encodes loca…
Revealing Local Structures through Machine-Learning- Fused Multimodal Spectroscopy
Haili Jia, Yiming Chen, Gi-Hyeok Lee +4
Atomistic structures of materials offer valuable insights into their functionality. Determining these structures remains a fundamental challenge in materials science, especially fo…