MBFormer maps DFT mean-field states to GW quasiparticle energies and BSE exciton properties, achieving 0.16 eV and 0.20 eV MAE on held-out 2D materials and extrapolating from coarse to fine k-grids.
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MBFormer: A General Transformer-based Learning Paradigm for Many-body Interactions in Real Materials
MBFormer maps DFT mean-field states to GW quasiparticle energies and BSE exciton properties, achieving 0.16 eV and 0.20 eV MAE on held-out 2D materials and extrapolating from coarse to fine k-grids.