CatTSunami: Accelerating Transition State Energy Calculations with Pretrained Graph Neural Networks

Authors: Brook Wander, Muhammed Shuaibi, John R. Kitchin, Zachary W. Ulissi, C. Lawrence Zitnick

Published: 2025-03-14

DOI: 10.1021/acscatal.4c04272

Source: Full article

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Abstract

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