Preprint
Sep 2026
Energetically Driven Structure Matching for Autonomous Total X-ray Scattering Experiments
The emergence of autonomous laboratories motivates rapid conversion of experimental data into reliable atomistic models on time-scales compatible with closed-loop optimization. Here we develop an energetically driven structure matching framework for analysis during ongoing total X-ray scattering experiments. Using data...
Emil J. P. Frost, M. Karlsen, Jonas H. Jensen et al.
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