514 citations · 1.8k across the 26 of their papers we have counts for
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physics.chem-ph2023
Excited-state normal-modes analysis: the case of porphyrins
Pavel Rukin, Deborah Prezzi, Carlo Andrea Rozzi
Excited state normal modes analysis is systematically applied to investigate and compare relaxation and internal conversion dynamics of a free-base porphyrin with a novel functiona…
cond-mat.mtrl-sci2023★ 19 cited
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…