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Gianluca Tirimbò
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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
482018
Excited-state electronic structure of molecules using many-body Green’s functions: Quasiparticles and electron–hole excitations with VOTCA-XTP
G Tirimbò, V Sundaram, O Çaylak, W Scharpach, J Sijen, C Junghans, ...
The Journal of Chemical Physics 152 (11), 2020
322020
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
212020
Ab initio modeling of excitons: from perfect crystals to biomaterials
G Tirimbò, B Baumeier
Advances in Physics: X 6 (1), 1912638, 2021
92021
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 Electronic Excitations in Complex Molecular Systems
G Tirimbo, V Sundaram, B Baumeier
12024
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, 2024
12024
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 (LA-UR-24-25313), 2024
2024
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
APS March Meeting Abstracts 2021, M22. 010, 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
APS March Meeting Abstracts 2019, G70. 280, 2019
2019
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Articles 1–13