1 citations · 2 across the 6 of their papers we have counts for
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Predicting Atomistic Transitions with Transformers
Henry Tischler, Wenting Li, Qi Tang +2
Accurate knowledge of the atomistic transition pathways in materials and material surfaces is crucial for many material science problems. However, conventional simulation technique…
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…
Exploring the extremes: atomic basis for multi-elemental materials science under complex thermodynamic conditions
Anton Bochkarev, Yury Lysogorskiy, Aparna Subramanyam +2
Modern materials science has historically been founded on combining restricted subsets of the periodic table, favoring high-purity, few-element systems. However, the demands of an…