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Catalysis

Working Paper

Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interfaces

Xin Yang, Arghya Bhowmik, Tejs Vegge, Heine Anton Hansen

Version 1 posted 29 November 2022

319

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Energy

Working Paper

Phase Separating Electrode Materials – Chemical Inductors?

Klemen Zelič, Igor Mele, Arghya Bhowmik, Tomaž Katrašnik

Version 1 posted 16 June 2022

143

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1

Citations

Energy

Working Paper

Uncertainty-aware and explainable machine learning for early prediction of battery degradation

Laura Hannemose Rieger, Eibar Flores, Kristian Frellesen Nielsen, Poul Norby, Elixabete Ayerbe, Ole Winther, Tejs Vegge, Arghya Bhowmik

Version 1 posted 29 June 2022

518

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1

Citations

Energy

Working Paper

Ab Initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries

David Carrasco-Busturia, Steen Lysgaard, Piotr Jankowski, Tejs Vegge, Arghya Bhowmik, Juan Maria García Lastra

Version 2 posted 08 March 2021

557

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Theoretical and Computational Chemistry

Working Paper

Large dataset of molecular and reaction energies from multi-level quantum chemical methods

Surajit Nandi, Tejs Vegge, Arghya Bhowmik

Version 2 posted 09 September 2022

852

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Analytical Chemistry

Working Paper

Autonomous battery optimisation by deploying distributed experiments and simulations

Monika Vogler, Simon Steensen, Francisco Ramirez, Leon Merker, Jonas Busk, Johan M. Carlsson, Laura Rieger, Bojing Zhang, Francois Liot, Giovanni Pizzi, Felix Hanke, Eibar Flores, Hamidreza Hajiyani, Stefan Fuchs, Alexey Sanin, Miran Gaberscek, Ivano Castelli, Simon Clark, Tejs Vegge, Arghya Bhowmik, Helge Sören Stein

Version 1 posted 16 May 2024

598

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Genetic algorithm-based re-optimization of the Schrock catalyst for dinitrogen fixation

Magnus Strandgaard, Julius Seumer, Bardi Benediktsson, Arghya Bhowmik, Tejs Vegge, Jan H. Jensen

Version 1 posted 23 June 2023

495

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3

Citations

Energy

Working Paper

Sensitivity analysis methodology for battery degradation models

Williams Agyei Appiah, Jonas Busk, Tejs Vegge, Arghya Bhowmik

Version 2 posted 11 August 2022

463

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Materials Chemistry

Working Paper

Brokering between tenants for an international materials acceleration platform

Monika Vogler, Jonas Busk, Hamidreza Hajiyani, Peter Bjørn Jørgensen, Nehzat Safaei, Ivano Castelli, Francisco Fernando Ramírez, Johan Carlsson, Giovanni Pizzi, Simon Clark, Felix Hanke, Arghya Bhowmik, Helge Sören Stein

Version 1 posted 06 September 2022

535

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1

Citations

Energy

Working Paper

Learning the laws of lithium-ion electrolyte transport using symbolic regression

Eibar Flores, Christian Wölke, Peng Yan, Martin Winter, Tejs Vegge, Isidora Cekic-Laskovic, Arghya Bhowmik

Version 1 posted 28 February 2022

552

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1

Citations

Refine Search

18 results in Arghya Bhowmik in Authors: Arghya Bhowmik

Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interfaces

Phase Separating Electrode Materials – Chemical Inductors?

Uncertainty-aware and explainable machine learning for early prediction of battery degradation

Ab Initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries

Large dataset of molecular and reaction energies from multi-level quantum chemical methods

Autonomous battery optimisation by deploying distributed experiments and simulations

Genetic algorithm-based re-optimization of the Schrock catalyst for dinitrogen fixation

Sensitivity analysis methodology for battery degradation models

Brokering between tenants for an international materials acceleration platform

Learning the laws of lithium-ion electrolyte transport using symbolic regression

18 results in Authors: Arghya Bhowmik