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4 results in Authors: Tiago Goncalves

Exploring the Intricacies of Glycerol Hydrodeoxygenation to Propanediol on Cu surface: A Comprehensive Investigation with the Aid of Machine Learning Forcefield

Srishti Gupta, Ajin Rajan, Edvin Fako, Tiago Goncalves, Imke Mueller, Jithin John Varghese, Ansgar Schaefer, Sandip De

Version 2 posted 17 December 2024

637

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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

183

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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

176

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Earth, Space, and Environmental Chemistry

Sequestration and Decontamination of Chemical Warfare Agent Simulants by Ionic Liquids

Rafaela A. L. Silva, Andreia A. Rosatella, Inês Cruz, Tiago Gonçalves, Pedro Neto, Carlos Alberto Mateus Afonso

Version 1 posted 04 April 2025

145

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