arXiv:2607. 08470v1 Announce Type: new Abstract: Fully characterizing a crystalline material requires integrating heterogeneous data sources -- atomic structures, diffraction patterns, electronic density of states, and natural language -- each of which captures a different facet of the same physical object.
By Le Yang (Institute for Advanced Simulations), Anoop K. Chandran (J\"ulich Supercomputing Centre, Forschungszentrum J\"ulich), Jona \"Ostreicher (Institute of Nanotechnology, Karlsruhe Institute of Technology), Evgenii Sovetkin (J\"ulich Supercomputing Centre, Forschungszentrum J\"ulich), Adrian Mirza (Helmholtz-Zentrum Berlin f\"ur Materialien und Energie, Helmholtz Institute for Polymers in Energy Applications Jena), Sebastien Bompas (Institute for Advanced Simulations), Bashir Kazimi (Institute for Advanced Simulations), Pascal Friederich (Institute of Nanotechnology, Karlsruhe Institute of Technology), Stefan Kesselheim (J\"ulich Supercomputing Centre, Forschungszentrum J\"ulich, 1. Physikalisches Institut, University of Cologne), Kevin Maik Jablonka (Helmholtz Institute for Polymers in Energy Applications Jena, Center for Energy and Environmental Chemistry Jena, Friedrich Schiller University Jena), Stefan Sandfeld (Institute for Advanced Simulations, Faculty 5 - Georesources and Materials Engineering, RWTH Aachen University)
arXiv:2607. 01286v1 Announce Type: new Abstract: Public lithium-ion battery datasets are increasingly used for state-of-health estimation, remaining-useful-life prediction, anomaly detection, electrochemical diagnostics, second-life analytics, and battery safety research.
By Sakthi Prabhu Gunasekar, Prasanna Kumar Rangarajan
arXiv:2607. 09762v1 Announce Type: new Abstract: Public battery aging datasets are a critical asset for advanced health management, but their practical use is often limited by inconsistent formats, unclear schemas, and metadata scattered across repositories and publications.
By Tianwen Zhu, Hao Wang, Yonggang Wen
arXiv:2606. 14003v1 Announce Type: cross Abstract: Determining the crystal structure of a material from its powder X-ray diffraction (PXRD) pattern is a central challenge in materials science.
By Nofit Segal, Mingda Li, Benjamin Kurt Miller, Rafael G\'omez-Bombarelli
arXiv:2607. 16864v1 Announce Type: new Abstract: Supercharging of lithium-ion batteries (LiBs) requires robust health monitoring to ensure durability, safety, and user confidence, particularly for emerging vehicle-to-grid applications with bidirectional energy flows.
By Wendi Guo, S{\o}ren Byg Vilsen, Daniel Ioan Stroe, Yaqi Li, Yicun Huang, Ashima Verma, Daniel Brandell
arXiv:2608. 06448v1 Announce Type: cross Abstract: Recovering a periodic 3D crystal structure from sparse, unindexed electron diffraction (ED) observations is a challenging generative inverse problem.
By Germain Poloudenny, Ya\"el Fr\'egier, Arnaud Demorti\`ere