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Arghya Bhowmik

Showing results (1-10 of 22) with videos related to

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Journal of Chemical Information and Modeling|June 5, 2023
Equivariant Graph-Representation-Based Actor-Critic Reinforcement Learning for Nanoparticle DesignJonas Elsborg, Arghya Bhowmik
Scientific Data|November 8, 2023
MultiXC-QM9: Large dataset of molecular and reaction energies from multi-level quantum chemical methodsSurajit Nandi, Tejs Vegge, Arghya Bhowmik
Chemsuschem|October 27, 2016
Descriptors and Thermodynamic Limitations of Electrocatalytic Carbon Dioxide Reduction on Rutile Oxide SurfacesArghya Bhowmik, Tejs Vegge, Heine A Hansen
Chemical Science|April 10, 2023
Neural network potentials for accelerated metadynamics of oxygen reduction kinetics at Au-water interfacesXin Yang, Arghya Bhowmik, Tejs Vegge, et al.
Journal of Chemical Theory and Computation|May 6, 2025
First-Principles Molecular Dynamics with Potential and Charge Fluctuations Applied to Au(111) in Alkaline SolutionsRenata Sechi, Georg Kastlunger, Arghya Bhowmik, et al.
ACS Applied Materials & Interfaces|May 24, 2024
Computational Investigation of LiF Formation at Graphite-Electrolyte InterfacesXueping Qin, Arghya Bhowmik, Tejs Vegge, et al.
Scientific Data|December 24, 2022
Transition1x - a dataset for building generalizable reactive machine learning potentialsMathias Schreiner, Arghya Bhowmik, Tejs Vegge, et al.
Scientific Data|November 23, 2024
Setting the standard for machine learning in phase field prediction: a benchmark dataset and baseline metricsLaura Hannemose Rieger, Klemen Zelič, Igor Mele, et al.
Scientific Data|July 10, 2024
CALiSol-23: Experimental electrolyte conductivity data for various Li-salts and solvent combinationsPaolo de Blasio, Jonas Elsborg, Tejs Vegge, et al.
Journal of Chemical Information and Modeling|September 16, 2022
Cheap Turns Superior: A Linear Regression-Based Correction Method to Reaction Energy from the DFTSurajit Nandi, Jonas Busk, Peter Bjørn Jørgensen, et al.
Pageof 3

Showing results (1-10 of 22) with videos related to

Sort By:
Pageof 3
Journal of Chemical Information and Modeling|June 5, 2023
Equivariant Graph-Representation-Based Actor-Critic Reinforcement Learning for Nanoparticle DesignJonas Elsborg, Arghya Bhowmik
Scientific Data|November 8, 2023
MultiXC-QM9: Large dataset of molecular and reaction energies from multi-level quantum chemical methodsSurajit Nandi, Tejs Vegge, Arghya Bhowmik
Chemsuschem|October 27, 2016
Descriptors and Thermodynamic Limitations of Electrocatalytic Carbon Dioxide Reduction on Rutile Oxide SurfacesArghya Bhowmik, Tejs Vegge, Heine A Hansen
Chemical Science|April 10, 2023
Neural network potentials for accelerated metadynamics of oxygen reduction kinetics at Au-water interfacesXin Yang, Arghya Bhowmik, Tejs Vegge, et al.
Journal of Chemical Theory and Computation|May 6, 2025
First-Principles Molecular Dynamics with Potential and Charge Fluctuations Applied to Au(111) in Alkaline SolutionsRenata Sechi, Georg Kastlunger, Arghya Bhowmik, et al.
ACS Applied Materials & Interfaces|May 24, 2024
Computational Investigation of LiF Formation at Graphite-Electrolyte InterfacesXueping Qin, Arghya Bhowmik, Tejs Vegge, et al.
Scientific Data|December 24, 2022
Transition1x - a dataset for building generalizable reactive machine learning potentialsMathias Schreiner, Arghya Bhowmik, Tejs Vegge, et al.
Scientific Data|November 23, 2024
Setting the standard for machine learning in phase field prediction: a benchmark dataset and baseline metricsLaura Hannemose Rieger, Klemen Zelič, Igor Mele, et al.
Scientific Data|July 10, 2024
CALiSol-23: Experimental electrolyte conductivity data for various Li-salts and solvent combinationsPaolo de Blasio, Jonas Elsborg, Tejs Vegge, et al.
Journal of Chemical Information and Modeling|September 16, 2022
Cheap Turns Superior: A Linear Regression-Based Correction Method to Reaction Energy from the DFTSurajit Nandi, Jonas Busk, Peter Bjørn Jørgensen, et al.
Pageof 3