1 citations · 1 across the 1 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2026
Benchmarking the plasmon-pole and multipole approximations in the Yambo Code using the GW100 dataset
M. Bonacci, D. A. Leon, N. Spallanzani +4
Verification and validation of electronic structure codes are essential to ensure reliable and reproducible results in computational materials science. While density functional the…
cond-mat.mtrl-sci2023
Towards high-throughput many-body perturbation theory: efficient algorithms and automated workflows
Miki Bonacci, Junfeng Qiao, Nicola Spallanzani +6
The automation of ab initio simulations is essential in view of performing high-throughput (HT) computational screenings oriented to the discovery of novel materials with desired p…
cond-mat.mtrl-sci2009★ 1 cited
Photo-excitation of a light-harvesting supra-molecular triad: a Time-Dependent DFT study
N. Spallanzani, C. A. Rozzi, D. Varsano +4
We present the first time-dependent density-functional theory (TDDFT) calculation on a light harvesting triad carotenoid-diaryl-porphyrin-C60. Besides the numerical challenge that…