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 | 47 | 2018 |
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 | 33 | 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 | 21 | 2020 |
Ab initio modeling of excitons: from perfect crystals to biomaterials G Tirimbò, B Baumeier Advances in Physics: X 6 (1), 1912638, 2021 | 9 | 2021 |
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 Electronic Excitations in Complex Molecular Systems G Tirimbó, V Sundaram, B Baumeier Wiley Interdisciplinary Reviews: Computational Molecular Science 14 (6), e1734, 2024 | 1 | 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 (LA-UR-24-25313), 2024 | 1 | 2024 |
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 | 1 | 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 |