3 papers
cond-mat.mtrl-sci2025
LeMat-Bulk: aggregating, and de-duplicating quantum chemistry materials databases
Martin Siron, Inel Djafar, Ali Ramlaoui +10
The rapid expansion of materials science databases has driven machine learning-based discovery while also posing challenges in data integration, duplication, and interoperability.…
physics.chem-ph2025
Cross Learning between Electronic Structure Theories for Unifying Molecular, Surface, and Inorganic Crystal Foundation Force Fields
Ilyes Batatia, Chen Lin, Joseph Hart +5
Creating a single unified interatomic potential capable of attaining ab initio accuracy across all chemistry remains a long-standing challenge in computational chemistry and materi…
cond-mat.supr-con2025
A Cryogenic Uniaxial Strain Cell for Elastoresistance Measurements
Franz Eckelt, Isidoro Cavallaro, Ralph Wagner +5
We present the design, implementation, and validation of a cryo-compatible strain cell for elastoresistance measurements in quantum materials. The cell is actuated by three large-f…