Arghya Bhowmik

Lovely Professional University — India

Materials Science · Physical Sciences

27h-index3.4kcitations146works4.32yr avg
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Research Topics

Machine Learning in Materials Science(49), Advancements in Battery Materials(26), Advanced Battery Technologies Research(26), Advanced Battery Materials and Technologies(24), Computational Drug Discovery Methods(16)

Publications146 total

Reinforcement Learning for Chemical Ordering in Alloy Nanoparticles
arXiv (Cornell University)·2025Open Access
A foundation model for atomistic materials chemistry
The Journal of Chemical Physics·2025· 65 citedOpen Access
Prediction friction forecasting in AA7075 composites through ensemble and probabilistic machine learning
Journal of Sol-Gel Science and Technology·2025· 2 cited
GO-Diff: Data-free and amortized global structure optimization
arXiv (Cornell University)·2025Open Access
Adsorption Dynamics and Electric Double Layer Properties at Pt(100) Electrodes
Advanced Materials Interfaces·2025· 2 citedOpen Access
Mining Chemical Space with Generative Models for Battery Materials
Batteries & Supercaps·2025· 1 citedOpen Access
Mining Chemical Space with Generative Modelsfor Battery Materials
2025Open Access
Dataset exploring the atomic scale structure and ionic dynamics of polyanion sodium cathode materials
Scientific Data·2025· 1 citedOpen Access
Dis-GEN: Disordered crystal structure generation
arXiv (Cornell University)·2025Open Access
Ab-Initio Molecular Dynamics with Potential and Charge Fluctuations Applied to Au(111) in Alkaline Solutions
ECS Meeting Abstracts·2025
Kinetic Langevin Diffusion for Crystalline Materials Generation
ArXiv.org·2025· 1 citedOpen Access
Processing and Characterization of Germanium‐Based Borate Bioglass for Biological Applications
Engineering Reports·2025Open Access
Discovering Chemical Space from First Principles with Reinforcement Learning
2025Open Access
Improving generative inverse design of molecular catalysts in small data regime
Machine Learning Science and Technology·2025· 2 citedOpen Access
Mining Chemical Space with Generative Modelsfor Battery Materials
2025· 4 citedOpen Access
First-Principles Molecular Dynamics with Potential and Charge Fluctuations Applied to Au(111) in Alkaline Solutions
Journal of Chemical Theory and Computation·2025· 1 cited
Graph2Mat: universal graph to matrix conversion for electron density prediction
Machine Learning Science and Technology·2025· 3 citedOpen Access
Graph2Mat: Universal graph to matrix conversion for electron density prediction
2025Open Access
ELECTRA: A Cartesian Network for 3D Charge Density Prediction with Floating Orbitals
arXiv (Cornell University)·2025Open Access
Density functional theory-based surrogate kinetic models for heterogeneous reactions of hydrocarbon intermediates on silicon carbide
Nanoscale·2025
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Frequent Co-authors

Tejs Vegge(25), J. M. García‐Lastra(9), Peter Bjørn Jørgensen(8), Ivano E. Castelli(7), Helge S. Stein(5), Kersti Hermansson(5), Elixabete Ayerbe(4), Simon Clark(4), Ole Winther(4), Jonas Busk(4), Heine Anton Hansen(4), Mridula Dixit Bharadwaj(4), Eibar Flores(4), Alexis Grimaud(3), Alejandro A. Franco(3), Maitane Berecibar(3), Robert Dominko(3), Jaysree Pan(3), Umesh V. Waghmare(3), Dennis Valbjørn Christensen(3)