by Arghya Bhowmik Papers

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ELECTRA: A Cartesian Network for 3D Charge Density Prediction with Floating Orbitals

Jonas Elsborg, Luca Thiede, Alan Aspuru-Guzik et al.

NeurIPS 2025spotlight

Kinetic Langevin Diffusion for Crystalline Materials Generation

François Cornet, Federico Bergamin, Arghya Bhowmik et al.

ICML 2025posterarXiv:2507.03602