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CatTSunami: Accelerating Transition State Energy Calculations with Pre-trained Graph Neural Networks

Fuente: arXiv

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Bibliographic Details
Main Authors:	Wander, Brook, Shuaibi, Muhammed, Kitchin, John R., Ulissi, Zachary W., Zitnick, C. Lawrence
Format:	Preprint
Published:	2024
Subjects:	Materials Science
Online Access:	Acceder al recurso
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