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cond-mat.mtrl-sci2025★ 2 cited
Advancing Quantum Many-Body GW Calculations on Exascale Supercomputing Platforms
Benran Zhang, Daniel Weinberg, Chih-En Hsu +9
Advanced ab initio materials simulations face growing challenges as increasing systems and phenomena complexity requires higher accuracy, driving up computational demands. Quantum…
cond-mat.mtrl-sci2023
Mixed Stochastic-Deterministic Approach for Many-Body Perturbation Theory Calculations
Aaron R. Altman, Sudipta Kundu, Felipe H. da Jornada
We present an approach for GW calculations of quasiparticle energies with quasi-quadratic scaling by approximating high-energy contributions to the Green's function in its Lehmann…