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cond-mat.mtrl-sci2023
Accelerating GW calculations through machine learned dielectric matrices
Mario G. Zauchner, Andrew Horsfield, Johannes Lischner
The GW approach produces highly accurate quasiparticle energies, but its application to large systems is computationally challenging, which can be largely attributed to the difficu…
cond-mat.mtrl-sci2021
Predicting polarizabilities of silicon clusters using local chemical environments
Mario G. Zauchner, Stefano Dal Forno, Gábor Cśanyi +2
Calculating polarizabilities of large clusters with first-principles techniques is challenging because of the unfavorable scaling of computational cost with cluster size. To addres…