TCSP 2.0: Template Based Crystal Structure Prediction with Improved Oxidation State Prediction and Chemistry Heuristics

Fuente: arXiv
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Bibliographic Details
Main Authors: Wei, Lai, Dong, Rongzhi, Fu, Nihang, Omee, Sadman Sadeed, Hu, Jianjun
Format: Preprint
Published: 2025
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