Enabling large language model agents for high-fidelity many-body perturbation theory calculations
AI-Donkey is developed, an agentic framework that combines expert-curated knowledge with deterministic execution to enable high-fidelity GW, GW-BSE, and GWPT calculations and analyses and demonstrates autonomous calculations and post-processing on 1D, 2D, and bulk materials, including the many-body enhancement of Frohl...
Ben-Ran Zhang, Byeongchan Lee, Zi-En Zhu et al.
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