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Gianluca Tirimbò
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Year
Electronic excitations in complex molecular environments: Many-body green’s functions theory in VOTCA-XTP
J Wehner, L Brombacher, J Brown, C Junghans, O Çaylak, Y Khalak, ...
Journal of chemical theory and computation 14 (12), 6253-6268, 2018
512018
Excited-state electronic structure of molecules using many-body Green’s functions: Quasiparticles and electron–hole excitations with VOTCA-XTP
G Tirimbo, V Sundaram, O Caylak, W Scharpach, J Sijen, C Junghans, ...
The Journal of Chemical Physics 152 (11), 2020
402020
Quantitative predictions of photoelectron spectra in amorphous molecular solids from multiscale quasiparticle embedding
G Tirimbò, X de Vries, CHL Weijtens, PA Bobbert, T Neumann, ...
Physical Review B 101 (3), 035402, 2020
262020
Ab initio modeling of excitons: from perfect crystals to biomaterials
G Tirimbò, B Baumeier
Advances in Physics: X 6 (1), 1912638, 2021
102021
Embedded Many‐Body Green's Function Methods for Electronic Excitations in Complex Molecular Systems
G Tirimbó, V Sundaram, B Baumeier
Wiley Interdisciplinary Reviews: Computational Molecular Science 14 (6), e1734, 2024
52024
VOTCA: multiscale frameworks for quantum and classical simulations in soft matter
B Baumeier, J Wehner, N Renaud, FZ Ruiz, R Halver, P Madhikar, ...
Journal of Open Source Software 9 (99), 6864, 2024
52024
Electron affinity and binding energy of excitons in disordered organic semiconductors. II. First-principles simulations and inverse photoemission studies for MADN
G Tirimbò, O Nagaoka, S Fukushima, C Van Hoesel, H Yoshida, ...
Physical Review B 112 (22), 224203, 2025
32025
Electronic Couplings and Conversion Dynamics between Localized and Charge Transfer Excitations from Many-Body Green’s Functions Theory
G Tirimbò, B Baumeier
Journal of Chemical Theory and Computation 20 (11), 4605-4615, 2024
32024
Electron affinity and binding energy of excitons in disordered organic semiconductors. III. Multimethod study for films of the blue fluorescent emitter MADN
EJ de Jong, NG de Rooij, WFM van Geel, C Hauenstein, H Tomita, ...
Physical Review B 112 (22), 224204, 2025
22025
A Kernel-based Machine Learning Approach to Computing Quasiparticle Energies within Many-Body Green's Functions Theory
G Tirimbò, O Çaylak, B Baumeier
arXiv preprint arXiv:2012.01787, 2020
22020
Embedded Many-Body Green's Function Methods for Complex Molecular Systems
G Tirimbó, V Sundaram, B Baumeier
2024
Non-adiabatic couplings and conversion dynamics between localized and charge transfer excitations from Many-Body Green's Functions Theory
G Tirimbo, B Baumeier
2024
Electronic excitations in complex molecular environments: a computational investigation via many-body perturbation theory
G Tirimbo
2023
Multiscale polarizable embedding of quasiparticle and electron-hole excitations from many-body Green’s functions (GW-BSE) with VOTCA-XTP
G Tirimbo, B Baumeier
Bulletin of the American Physical Society 66, 2021
2021
First-principles photoelectron spectroscopy in molecular solids from multiscale GW-BSE/MM embedding
G Tirimbó, X de Vries, P Bobbert, R Coehoorn, B Baumeier
Bulletin of the American Physical Society 64, 2019
2019
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Articles 1–15