| Resolving the benzophenone DNA-photosensitization mechanism at QM/MM level E Dumont, M Wibowo, D Roca-Sanjuán, M Garavelli, X Assfeld, A Monari The journal of physical chemistry letters 6 (4), 576-580, 2015 | 63 | 2015 |
| Modeling ultrafast electron dynamics in strong magnetic fields using real-time time-dependent electronic structure methods M Wibowo, TJP Irons, AM Teale Journal of Chemical Theory and Computation 17 (4), 2137-2165, 2021 | 30 | 2021 |
| A rigorous nonorthogonal configuration interaction approach for the calculation of electronic couplings between diabatic states applied to singlet fission M Wibowo, R Broer, RWA Havenith Computational and Theoretical Chemistry 1116, 190-194, 2017 | 28 | 2017 |
| Hydrogen abstraction by photoexcited benzophenone: consequences for DNA photosensitization M Marazzi, M Wibowo, H Gattuso, E Dumont, D Roca-Sanjuán, A Monari Physical Chemistry Chemical Physics 18 (11), 7829-7836, 2016 | 27 | 2016 |
| Pre-exascale accelerated application development: The ORNL Summit experience L Luo, TP Straatsma, LEA Suarez, R Broer, D Bykov, EF D'Azevedo, ... IBM Journal of Research and Development 64 (3/4), 11: 1-11: 21, 2020 | 22 | 2020 |
| GronOR: Massively parallel and GPU-accelerated non-orthogonal configuration interaction for large molecular systems TP Straatsma, R Broer, S Faraji, RWA Havenith, LE Suarez, RK Kathir, ... The Journal of Chemical Physics 152 (6), 2020 | 19 | 2020 |
| Delocalization effects in singlet fission: Comparing models with two and three interacting molecules D Accomasso, G Granucci, M Wibowo, M Persico The Journal of Chemical Physics 152 (24), 2020 | 15 | 2020 |
| Nonadiabatic dynamics simulations of singlet fission in 2, 5-bis (fluorene-9-ylidene)-2, 5-dihydrothiophene crystals M Wibowo, M Persico, G Granucci Physical Chemistry Chemical Physics 21 (2), 692-701, 2019 | 9 | 2019 |
| Understanding ground and excited-state molecular structure in strong magnetic fields using the maximum overlap method M Wibowo, BC Huynh, CY Cheng, TJP Irons, AM Teale Molecular Physics 121 (7-8), e2152748, 2023 | 5 | 2023 |
| An Embedded Fragment Method for Molecules in Strong Magnetic Fields BT Speake, TJP Irons, M Wibowo, AG Johnson, G David, AM Teale Journal of Chemical Theory and Computation 18 (12), 7412-7427, 2022 | 2 | 2022 |
| Strong correlation in density functional theory: general discussion E Fromager, N Gidopoulos, P Gori-Giorgi, T Helgaker, PF Loos, ... Faraday Discussions 224, 373-381, 2020 | 2 | 2020 |
| QSym2: A Quantum Symbolic Symmetry Analysis Program for Electronic Structure BC Huynh, M Wibowo-Teale, AM Wibowo-Teale Journal of Chemical Theory and Computation 20 (1), 114-133, 2023 | 1 | 2023 |
| Real-time time-dependent self-consistent field methods with dynamic magnetic fields M Wibowo-Teale, BJ Ennifer, AM Wibowo-Teale The Journal of Chemical Physics 159 (10), 2023 | 1 | 2023 |
| Symmetry and reactivity of -systems in electric and magnetic fields: a perspective from conceptual DFT M Wibowo-Teale, BC Huynh, AM Wibowo-Teale, F De Proft, P Geerlings arXiv preprint arXiv:2402.15595, 2024 | | 2024 |
| Magnetic optical rotation from real-time simulations in finite magnetic fields BS Ofstad, M Wibowo-Teale, HE Kristiansen, E Aurbakken, MP Kitsaras, ... The Journal of Chemical Physics 159 (20), 2023 | | 2023 |
| Magnetic Optical Rotation from Real-Time Simulations in Finite Magnetic Fields B Sverdrup Ofstad, M Wibowo-Teale, HE Kristiansen, E Aurbakken, ... arXiv e-prints, arXiv: 2308.06003, 2023 | | 2023 |
| Computational Modelling of Singlet Fission: From the static picture to fission dynamics MK Wibowo | | 2019 |
| Source code for QSym²: A Quantum Symbolic Symmetry Analysis Program for Electronic Structure B Huynh, M Wibowo-Teale, A Wibowo-Teale | | |
| Electronic coupling calculations for a potential singlet fission chromophore M WIBOWO, RIA BROER, RWA HAVENITH | | |
| A RASPT2 Study of the Electronic Absorption Spectrum of Porphycene MK Wibowo, V Sauri, M Rubio, D Roca-Sanjuán, M Merchán | | |
