| Correlation Length in Concentrated Electrolytes: Insights from All-Atom Molecular Dynamics Simulations SW Coles, C Park, R Nikam, M Kanduc, J Dzubiella, B Rotenberg The Journal of Physical Chemistry B 124 (9), 1778-1786, 2020 | 56 | 2020 |
| Interfacial structure and structural forces in mixtures of ionic liquid with a polar solvent SW Coles, AM Smith, MV Fedorov, F Hausen, S Perkin Faraday discussions 206, 427-442, 2018 | 52 | 2018 |
| Transition metal migration and O2 formation underpin voltage hysteresis in oxygen-redox disordered rocksalt cathodes K McColl, RA House, GJ Rees, AG Squires, SW Coles, PG Bruce, ... Nature Communications 13 (1), 1-8, 2022 | 43 | 2022 |
| The nanostructure of a lithium glyme solvate ionic liquid at electrified interfaces SW Coles, M Mishin, S Perkin, MV Fedorov, VB Ivaništšev Physical Chemistry Chemical Physics 19 (18), 11004-11010, 2017 | 37 | 2017 |
| A graphene surface force balance J Britton, NEA Cousens, SW Coles, CD van Engers, V Babenko, ... Langmuir 30 (38), 11485-11492, 2014 | 28 | 2014 |
| Pushing the boundaries of lithium battery research with atomistic modelling on different scales LM Morgan, MP Mercer, A Bhandari, C Peng, MM Islam, H Yang, ... Progress in Energy 4 (1), 012002, 2021 | 21 | 2021 |
| Computing three-dimensional densities from force densities improves statistical efficiency SW Coles, D Borgis, R Vuilleumier, B Rotenberg The Journal of Chemical Physics 151 (6), 064124, 2019 | 19 | 2019 |
| Simulation of a Solvate Ionic Liquid at a Polarizable Electrode with a Constant Potential SW Coles, VB Ivaništšev The Journal of Physical Chemistry C 123 (7), 3935-3943, 2019 | 18 | 2019 |
| Electrochemistry: general discussion A Abbott, L Aldous, N Borisenko, S Coles, O Fontaine, JDG Garcia, ... Faraday discussions 206, 405-426, 2018 | 16 | 2018 |
| Reduced variance analysis of molecular dynamics simulations by linear combination of estimators SW Coles, E Mangaud, D Frenkel, B Rotenberg The Journal of Chemical Physics 154 (19), 191101, 2021 | 11 | 2021 |
| Overscreening and underscreening in solid-electrolyte grain boundary space-charge layers JM Dean, SW Coles, WR Saunders, AR McCluskey, MJ Wolf, AB Walker, ... Physical Review Letters 127 (13), 135502, 2021 | 9 | 2021 |
| RevelsMD: Reduced Variance Estimators of the Local Structure in Molecular Dynamics SW Coles, BJ Morgan, B Rotenberg arXiv preprint arXiv:2310.06149, 2023 | 4 | 2023 |
| Anion-polarisation-directed short-range-order in antiperovskite Li 2 FeSO SW Coles, V Falkowski, HS Geddes, GE Pérez, SG Booth, AG Squires, ... Journal of Materials Chemistry A 11 (24), 13016-13026, 2023 | 3 | 2023 |
| Ionic liquids at interfaces: general discussion A Abbott, M Addicoat, L Aldous, RG Bhuin, N Borisenko, JNC Lopes, ... Faraday Discussions 206, 549-586, 2018 | 3 | 2018 |
| Accurate Estimation of Diffusion Coefficients and their Uncertainties from Computer Simulation AR McCluskey, SW Coles, BJ Morgan arXiv preprint arXiv:2305.18244, 2023 | 2 | 2023 |
| kinisi: Bayesian analysis of mass transport from molecular dynamics simulations AR McCluskey, AG Squires, J Dunn, SW Coles, BJ Morgan Journal of Open Source Software 9 (94), 1-3, 2024 | 1 | 2024 |
| Dynamic Lone Pairs and Fluoride-Ion Disorder in Cubic-BaSnF4 B Mercadier, SW Coles, M Duttine, C Legein, M Body, OJ Borkiewicz, ... Journal of the American Chemical Society 145 (43), 23739-23754, 2023 | 1 | 2023 |
| Phase segregation and nanoconfined fluid O2 in a lithium-rich oxide cathode K McColl, SW Coles, P Zarabadi–Poor, BJ Morgan, MS Islam | 1 | 2023 |
| Dataset for" Anion-polarisation–directed short-range-order in antiperovskite Li2FeSO" S Coles, A Squires, K McColl, S Islam, B Morgan University of Bath, 2023 | 1 | 2023 |
| Interfacial nanostructure of solvate ionic liquids and ionic liquid solutions S Coles University of Oxford, 2018 | 1 | 2018 |
Benjamin J. MorganDepartment of Chemistry, University of BathVerified email at bath.ac.uk
