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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…
cond-mat.mtrl-sci2023
A case study of multi-modal, multi-institutional data management for the combinatorial materials science community
Sarah I. Allec, Eric S. Muckley, Nathan S. Johnson +9
Although the convergence of high-performance computing, automation, and machine learning has significantly altered the materials design timeline, transformative advances in functio…
cond-mat.mtrl-sci2023
Reproducibility in Computational Materials Science: Lessons from 'A General-Purpose Machine Learning Framework for Predicting Properties of Inorganic Materials'
Daniel Persaud, Logan Ward, Jason Hattrick-Simpers
The integration of machine learning techniques in materials discovery has become prominent in materials science research and has been accompanied by an increasing trend towards ope…