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Abhishek Agarwal

2 results in Authors: Abhishek Agarwal

Theoretical and Computational Chemistry

Periodic Density Matrix Embedding for CO Adsorption on the MgO(001)Surface

Abhishek Mitra, Matthew Hermes, Minsik Cho, Valay Agarwal, Laura Gagliardi

Version 1 posted 21 June 2022

259

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"Heusler Alloys as Catalysts for Hydrogen Production by Ammonia Decomposition: Data-Driven Screening Via Graph Neural Networks"

Abhishek Agarwal, Sriram Goverapet Srinivasan, Beena Rai

Version 1 posted 29 March 2024

338

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