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Samuel William Coles
Samuel William Coles
Research Associate, Yusuf Hamied Department Of Chemistry, University Of Cambridge
Verifisert e-postadresse på cam.ac.uk
Tittel
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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
732020
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
722022
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
542018
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
382017
A graphene surface force balance
J Britton, NEA Cousens, SW Coles, CD van Engers, V Babenko, ...
Langmuir 30 (38), 11485-11492, 2014
332014
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
292021
Phase segregation and nanoconfined fluid O2 in a lithium-rich oxide cathode
K McColl, SW Coles, P Zarabadi-Poor, BJ Morgan, MS Islam
Nature Materials 23 (6), 826-833, 2024
262024
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
242019
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
202019
Electrochemistry: general discussion
A Abbott, L Aldous, N Borisenko, S Coles, O Fontaine, JDG Garcia, ...
Faraday discussions 206, 405-426, 2018
192018
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
162021
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
112021
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
102023
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
92023
Accurate estimation of diffusion coefficients and their uncertainties from computer simulation
AR McCluskey, SW Coles, BJ Morgan
Journal of Chemical Theory and Computation 21 (1), 79-87, 2024
82024
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
72024
RevelsMD: Reduced Variance Estimators of the Local Structure in Molecular Dynamics
SW Coles, BJ Morgan, B Rotenberg
arXiv preprint arXiv:2310.06149, 2023
62023
Ionic liquids at interfaces: general discussion
A Abbott, M Addicoat, L Aldous, RG Bhuin, N Borisenko, JNC Lopes, ...
Faraday Discussions 206, 549-586, 2018
52018
Interfacial nanostructure of solvate ionic liquids and ionic liquid solutions
SW Coles
PQDT-UK & Ireland, 2018
12018
Nuclear quantum effects induce superionic proton transport in nanoconfined water
P Ravindra, XR Advincula, BX Shi, SW Coles, A Michaelides, V Kapil
arXiv preprint arXiv:2410.03272, 2024
2024
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Artikler 1–20