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4 results in Authors: Sheena Agarwal

Theoretical and Computational Chemistry

DART: Deep Learning Enabled Topological Interaction Model for Energy Prediction of Metal Clusters and its Application in Identifying Unique Low Energy Isomers

Rohit Modee, Sheena Agarwal, Ashwini Verma, Kavita Joshi, U. Deva Priyakumar

Version 1 posted 26 May 2021

463

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1

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Theoretical and Computational Chemistry

Looking Beyond Adsorption Energies to Understand Interactions at Surface Using Machine Learning

Sheena Agarwal, Kavita Joshi, Sheena Agrawal

Version 1 posted 04 June 2021

635

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Theoretical and Computational Chemistry

MLIPX: Machine Learned Interatomic Potential eXploration

Fabian Zills, Sheena Agarwal, Tiago Goncalves, Srishti Gupta, Edvin Fako, Shuang Han, Imke Mueller, Christian Holm, Sandip De

Version 1 posted 26 June 2025

151

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Copper Gallium Aluminum Mixed Metal Oxides as new Alternative Catalyst Candidates for Efficient Conversion of Carbon Dioxide to Methanol and Dimethyl Ether

Sebastian Weber, Edvin Fako, Tiago J. Goncalves, Sandip De, Chiara Boscagli, Matthias Müller, Shuang Han, Ivana Jevtovikj, Robert Baumgarten, Michael Geske, Raoul Naumann d'Alnoncourt, Sheena Agarwal, Mohammad Khatamirad, Ansgar Schäfer, Frank Rosowski, Elias Frei, Stephan A. Schunk

Version 1 posted 22 April 2025

181

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