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Predicting Atomistic Transitions with Transformers

Accurate knowledge of the atomistic transition pathways in materials and material surfaces is crucial for many material science problems. However, conventional simulation techniques used to find these transitions are extremely computationally intensive. Even with large-scale, accelerated material si...

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書誌詳細
主要な著者: Henry Tischler, Wenting Li, Qi Tang, Danny Perez, Thomas Vogel
フォーマット: Artigo
言語:Inglês
出版事項: Taylor & Francis Group 2026-12-01
シリーズ:Data Science in Science
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オンライン・アクセス:https://www.tandfonline.com/doi/10.1080/26941899.2026.2685344
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