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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

500

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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

441

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3

Citations

Theoretical and Computational Chemistry

Working Paper

OM-DIFF: INVERSE-DESIGN OF ORGANOMETALLIC CATALYSTS WITH GUIDED EQUIVARIANT DENOISING DIFFUSION

François Cornet, Bardi Benediktsson, Bjarke Hastrup, Mikkel N. Schmidt, Arghya Bhowmik

Version 1 posted 28 March 2024

523

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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

502

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1

Citations

Theoretical and Computational Chemistry

Working Paper

ArtiSAN: Navigating the complexity of material structures with deep reinforcement learning

Jonas Elsborg, Arghya Bhowmik

Version 1 posted 05 June 2024

206

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Theoretical and Computational Chemistry

Working Paper

GRAPH2MAT: UNIVERSAL GRAPH TO MATRIX CONVERSION FOR ELECTRON DENSITY PREDICTION

Pol Febrer, Peter Jørgensen, Miguel Pruneda, Alberto Garcia, Pablo Ordejon, Arghya Bhowmik

Version 1 posted 04 July 2024

298

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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

292

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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

503

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Materials Funnel 2.0 - Data-driven hierarchical search for exploration of vast chemical spaces

Raul Ortega Ochoa, Bardi Benediktsson, Renata Sechi, Peter Bjørn Jørgensen, Arghya Bhowmik

Version 2 posted 27 September 2023

315

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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

508

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1

Citations

Refine Search

17 results in Arghya Bhowmik in Authors: Arghya Bhowmik

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

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

OM-DIFF: INVERSE-DESIGN OF ORGANOMETALLIC CATALYSTS WITH GUIDED EQUIVARIANT DENOISING DIFFUSION

Autonomous battery optimisation by deploying distributed experiments and simulations

ArtiSAN: Navigating the complexity of material structures with deep reinforcement learning

GRAPH2MAT: UNIVERSAL GRAPH TO MATRIX CONVERSION FOR ELECTRON DENSITY PREDICTION

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

Brokering between tenants for an international materials acceleration platform

Materials Funnel 2.0 - Data-driven hierarchical search for exploration of vast chemical spaces

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

17 results in Authors: Arghya Bhowmik