| 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 | 51 | 2018 |
| 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 | 40 | 2020 |
| 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 | 26 | 2020 |
| Ab initio modeling of excitons: from perfect crystals to biomaterials G Tirimbò, B Baumeier Advances in Physics: X 6 (1), 1912638, 2021 | 10 | 2021 |
| 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 | 5 | 2024 |
| 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 | 5 | 2024 |
| 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 | 3 | 2025 |
| 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 | 3 | 2024 |
| 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 | 2 | 2025 |
| 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 | 2 | 2020 |
| 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 |