Which quantum statistics–classical dynamics method is best for water? RL Benson, G Trenins, SC Althorpe Faraday Discussions 221, 350-366, 2020 | 49 | 2020 |
Modeling Electron Transfers Using Quasidiabatic Hartree–Fock States KT Jensen, RL Benson, S Cardamone, AJW Thom Journal of Chemical Theory and Computation 14 (9), 4629-4639, 2018 | 23 | 2018 |
On the “Matsubara heating” of overtone intensities and Fermi splittings RL Benson, SC Althorpe The Journal of Chemical Physics 155 (10), 104107, 2021 | 17 | 2021 |
Zero-point energy and tunnelling: General discussion SC Althorpe, AM Alvertis, W Barford, RL Benson, I Burghardt, S Giannini, ... Faraday Discussions 221, 478-500, 2020 | 5 | 2020 |
Exact distributed kinetic Monte Carlo simulations for on-lattice chemical kinetics: lessons learnt from medium-and large-scale benchmarks GD Savva, RL Benson, IA Christidi, M Stamatakis Philosophical Transactions of the Royal Society A 381 (2250), 20220235, 2023 | 4 | 2023 |
Assessing the Impact of Adlayer Description Fidelity on Theoretical Predictions of Coking on Ni (111) at Steam Reforming Conditions SS Yadavalli, G Jones, RL Benson, M Stamatakis The Journal of Physical Chemistry C, 2023 | 3 | 2023 |
Large-scale benchmarks of the time-warp/graph-theoretical kinetic Monte Carlo approach for distributed on-lattice simulations of catalytic kinetics GD Savva, RL Benson, IA Christidi, M Stamatakis Physical Chemistry Chemical Physics 25 (7), 5468-5478, 2023 | 1 | 2023 |
Path-integral studies of quantum statistical effects in vibrational spectroscopy RL Benson | 1 | 2021 |
Speeding up the Detection of Adsorbate Lateral Interactions in Graph-Theoretical Kinetic Monte Carlo Simulations RL Benson, SS Yadavalli, M Stamatakis The Journal of Physical Chemistry A 127 (48), 10307-10319, 2023 | | 2023 |
Research data supporting" On the'Matsubara heating'of overtone intensities and Fermi splittings" R Benson, S Althorpe | | 2021 |
Research data supporting" Which quantum statistics–classical dynamics method is best for water?" RL Benson, G Trenins, S Althorpe | | 2019 |
Research data supporting" Modelling Electron Transfers Using Quasidiabatic Hartree-Fock States" KT Jensen, RL Benson, S Cardamone, AJW Thom | | 2018 |