Bhowmik, Arghya

8 publications

ICLRW 2025 Dis-CSP: Disordered Crystal Structure Predictions Martin Hoffmann Petersen, Ruiming Zhu, Haiwen Dai, Savyasanchi Aggarwal, Wei Nong, Andy Paul Chen, Arghya Bhowmik, Juan Maria Garcia-Lastra, Kedar Hippalgaonkar

NeurIPS 2025 ELECTRA: A Cartesian Network for 3D Charge Density Prediction with Floating Orbitals Jonas Elsborg, Luca Thiede, Alan Aspuru-Guzik, Tejs Vegge, Arghya Bhowmik

ICLRW 2025 ELECTRA: A Symmetry-Breaking Cartesian Network for Charge Density Prediction with Floating Orbitals Jonas Elsborg, Luca Thiede, Alan Aspuru-Guzik, Tejs Vegge, Arghya Bhowmik

ICML 2025 Kinetic Langevin Diffusion for Crystalline Materials Generation François R J Cornet, Federico Bergamin, Arghya Bhowmik, Juan Maria Garcia-Lastra, Jes Frellsen, Mikkel N. Schmidt

ICLRW 2025 Kinetic Langevin Diffusion for Crystalline Materials Generation François R J Cornet, Federico Bergamin, Arghya Bhowmik, Juan Maria Garcia-Lastra, Jes Frellsen, Mikkel N. Schmidt

NeurIPSW 2024 Equivariant Conditional Diffusion Model for Exploring the Chemical Space Around Vaska’s Complex François R J Cornet, Pratham Deshmukh, Bardi Benediktsson, Mikkel N. Schmidt, Arghya Bhowmik

NeurIPSW 2023 CURATOR: Autonomous Batch Active-Learning Workflow for Catalysts Xin Yang, Renata Sechi, Martin Hoffmann Petersen, Arghya Bhowmik, Heine Anton Hansen

NeurIPSW 2023 Inverse-Design of Organometallic Catalysts with Guided Equivariant Diffusion François R J Cornet, Bardi Benediktsson, Bjarke Hastrup, Arghya Bhowmik, Mikkel N. Schmidt