Gabriel Bramley
Gabriel Bramley
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The ONETEP linear-scaling density functional theory program
JCA Prentice, J Aarons, JC Womack, AEA Allen, L Andrinopoulos, ...
The Journal of chemical physics 152 (17), 2020
Reconciling work functions and adsorption enthalpies for implicit solvent models: a Pt (111)/water interface case study
G Bramley, MT Nguyen, VA Glezakou, R Rousseau, CK Skylaris
Journal of chemical theory and computation 16 (4), 2703-2715, 2020
Understanding adsorption of organics on pt (111) in the aqueous phase: insights from dft based implicit solvent and statistical thermodynamics models
GA Bramley, MT Nguyen, VA Glezakou, R Rousseau, CK Skylaris
Journal of Chemical Theory and Computation 18 (3), 1849-1861, 2022
The application of QM/MM simulations in heterogeneous catalysis
GA Bramley, OT Beynon, PV Stishenko, AJ Logsdail
Physical Chemistry Chemical Physics 25 (9), 6562-6585, 2023
ONETEP solvent and electrolyte model
J Dziedzic, JC Womack, A Bhandari, G Bramley
Anchoring highly dispersed metal nanoparticles by strong electrostatic adsorption (SEA) on dealuminated Beta zeolite for catalysis
R Zou, G Bramley, S Xu, S Chansai, M Panchal, H Chen, Y Zhou, P Gao, ...
Catalysis Science & Technology, 2023
rsc. li/pccp
GA Bramley, OT Beynon, PV Stishenko, AJ Logsdail, Y Ma, L Lin, ...
Phys. Chem. Chem. Phys 25, 6602, 2023
Developing and evaluating implicit solvent models for catalytic metallic surfaces
G Bramley
University of Southampton, 2022
Implicit Solvent and Multipole Corrections with Coulomb Cut-off
G Bramley
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Articles 1–9