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Catalyst screening

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4 results in Keywords: Catalyst screening

Theoretical and Computational Chemistry

AdsMT: A multi-modal transformer for predicting global minimum adsorption energy

Junwu Chen, Xu Huang, Cheng Hua, Yulian He, Philippe Schwaller

Version 2 posted 07 August 2024

495

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Physical Chemistry

Fidelity of Robotic Chemical Operations of Homogenous and Heterogeneous Reactions

Guoqiang Wang, Bo Xin, Gaobo Wang, Yong Zhang, Yunwen Lu, Lin Guo, Shuhua Li, Chunlin Chen, Xu Cheng, Jing Ma

Version 1 posted 23 July 2021

398

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Rationally Tailoring Catalysts for the CO Oxidation Reaction by Using DFT Calculations

Dengxin Yan, Henrik Kristoffersen, Jack Pedersen, Jan Rossmeisl

Version 3 posted 18 October 2021

1,110

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Harnessing Physics-inspired Machine Learning to Design Nanocluster Catalysts for Dehydrogenating Liquid Organic Hydrogen Carriers

Chuhong Lin, Bryan Lee, Uzma Anjum, Asmee Prabhu, Rong Xu, Tej Choksi

Version 1 posted 09 July 2024

330

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