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20242026
most citedExploring the extremes: atomic basis for multi-elemental materials science under complex thermodynamic conditions

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physics.comp-ph2026

Characterizing Atomistic Transitions Using Cross-scale Graph-pooled Chebyshev Signatures

Rostyslav Hnatyshyn, Danny Perez

Large-scale atomistic simulations can produce extreme volumes of information in the form of long trajectories. Reliably and automatically extracting key information from such datas…