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cond-mat.mtrl-sci2026
A Magnetism-Aware Crystal Graph Neural Network with Explicit Magnetic-Sublattice and Exchange-Geometry Representations
Sourav Mal, Satadeep Bhattacharjee
Magnetic order in crystals is governed by moment-carrying sublattices and ligand-mediated exchange pathways, yet standard crystal graph neural networks do not explicitly distinguis…
cond-mat.mtrl-sci2026
Property-Guided Diffusion for Inverse Design of Crystalline Materials
Sourav Mal, Subhankar Mishra, Prasenjit Sen
Diffusion-based generative models with property guidance have emerged as a promising paradigm for inverse materials design by enabling the generation of crystalline materials with…