A partially linearized spin-mapping approach for nonadiabatic dynamics. I. Derivation of the theory JR Mannouch, JO Richardson The Journal of Chemical Physics 153 (19), 194109, 2020 | 38 | 2020 |
Ultra-fast relaxation, decoherence, and localization of photoexcited states in π-conjugated polymers JR Mannouch, W Barford, S Al-Assam The Journal of Chemical Physics 148 (3), 2018 | 37 | 2018 |
A mapping approach to surface hopping JR Mannouch, JO Richardson The Journal of Chemical Physics 158 (10), 104111, 2023 | 32 | 2023 |
A partially linearized spin-mapping approach for nonadiabatic dynamics. II. Analysis and comparison with related approaches JR Mannouch, JO Richardson The Journal of Chemical Physics 153 (19), 194110, 2020 | 31 | 2020 |
Explaining the efficiency of photosynthesis: Quantum uncertainty or classical vibrations? JE Runeson, JE Lawrence, JR Mannouch, JO Richardson The Journal of Physical Chemistry Letters 13 (15), 3392-3399, 2022 | 24 | 2022 |
A partially linearized spin-mapping approach for simulating nonlinear optical spectra JR Mannouch, JO Richardson The Journal of Chemical Physics 156 (2), 024108, 2022 | 24 | 2022 |
Torsionally induced exciton localization and decoherence in π-conjugated polymers W Barford, JR Mannouch The Journal of Chemical Physics 149 (21), 2018 | 14 | 2018 |
Mott transitions in the periodic Anderson model DE Logan, MR Galpin, J Mannouch Journal of Physics: Condensed Matter 28 (45), 455601, 2016 | 14 | 2016 |
Spin-Mapping Methods for Simulating Ultrafast Nonadiabatic Dynamics JE Runeson, JR Mannouch, G Amati, MR Fiechter, J Richardson Chimia 76 (6), 582-588, 2022 | 13 | 2022 |
Detailed balance in mixed quantum–classical mapping approaches G Amati, JR Mannouch, JO Richardson The Journal of Chemical Physics 159 (21), 2023 | 11 | 2023 |
Recovering Marcus theory rates and beyond without the need for decoherence corrections: The mapping approach to surface hopping JE Lawrence, JR Mannouch, JO Richardson The Journal of Physical Chemistry Letters 15 (3), 707-716, 2024 | 6 | 2024 |
Quantum coherence in complex environments: General discussion AM Alvertis, W Barford, SB Worster, I Burghardt, A Datta, A Dijkstra, T Fay, ... Faraday Discussions 221, 168-201, 2020 | 6 | 2020 |
Exciton dynamics in π-conjugated polymer systems J Mannouch University of Oxford, 2019 | 6 | 2019 |
A MASH simulation of the photoexcited dynamics of cyclobutanone JE Lawrence, IM Ansari, JR Mannouch, MA Manae, K Asnaashari, A Kelly, ... The Journal of Chemical Physics 160 (17), 2024 | 5 | 2024 |
Emerging opportunities and future directions: general discussion SC Althorpe, W Barford, J Blumberger, C Bungey, I Burghardt, A Datta, ... Faraday Discussions 221, 564-581, 2020 | 5 | 2020 |
Quantum Quality with Classical Cost: Ab Initio Nonadiabatic Dynamics Simulations Using the Mapping Approach to Surface Hopping JR Mannouch, A Kelly The Journal of Physical Chemistry Letters 15, 5814-5823, 2024 | 2 | 2024 |
A Size-Consistent Multi-State Mapping Approach to Surface Hopping JE Lawrence, JR Mannouch, JO Richardson arXiv preprint arXiv:2403.10627, 2024 | 2 | 2024 |
Using spectroscopy to probe relaxation, decoherence, and localization of photoexcited states in π-conjugated polymers W Barford, JLA Gardner, JR Mannouch Faraday Discussions 221, 281-298, 2020 | 2 | 2020 |