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cond-mat.mtrl-sci2026
Energetically Driven Structure Matching for Autonomous Total X-ray Scattering Experiments
Emil J. P. Frost, Martin A. Karlsen, Jonas H. Jensen +6
The emergence of autonomous laboratories motivates rapid conversion of experimental data into reliable atomistic models on time-scales compatible with closed-loop optimization. Her…
cond-mat.mtrl-sci2026
SoLiD26: A First Principles Solid-Liquid Interface Dataset for Machine-learned Interatomic Potentials
Jonas Busk, Emil J. P. Frost, Yogeshwaran Krishnan +7
Machine-learned interatomic potentials (MLIPs) enable simulations of larger atomistic systems over longer timescales than traditional ab initio methods but require large, diverse t…