GW-Bethe-Salpeter
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Related Articles from SNS
Agentic multi-fidelity learning of quasiparticle and excitonic properties
arXiv:2606.07836v1 Announce Type: cross Abstract: Many-body GW-Bethe-Salpeter equation calculations are essential for accurate simulations of electronic structure and optical properties in modern low-dimensional nanomaterials. However, these methods are computationally demanding and can exhibit localized numerical instabilities or convergence failures that are difficult to detect within high-throughput workflows. We introduce an agent-guided multi-fidelity framework for correcting...
Agentic multi-fidelity learning of quasiparticle and excitonic properties
arXiv:2606.07836v1 Announce Type: cross Abstract: Many-body GW-Bethe-Salpeter equation calculations are essential for accurate simulations of electronic structure and optical properties in modern low-dimensional nanomaterials. However, these methods are computationally demanding and can exhibit localized numerical instabilities or convergence failures that are difficult to detect within high-throughput workflows. We introduce an agent-guided multi-fidelity framework for correcting...