43 citations · 124 across the 9 of their papers we have counts for
9 papers
Bayesian Methods for the Investigation of Temperature-Dependence in Conductivity
Andrew R. McCluskey, Samuel W. Coles, Benjamin J. Morgan
Temperature-dependent transport data, including diffusion coefficients and ionic conductivities, are routinely analysed by fitting empirical models such as the Arrhenius equation.…
Accurate Estimation of Diffusion Coefficients and their Uncertainties from Computer Simulation
Andrew R. McCluskey, Samuel W. Coles, Benjamin J. Morgan
Self-diffusion coefficients, , are routinely estimated from molecular dynamics simulations by fitting a linear model to the observed mean-squared displacements (MSDs) of mobil…
Advice on describing Bayesian analysis of neutron and X-ray reflectometry
Andrew R. McCluskey, Andrew J. Caruana, Christy J. Kinane +9
Driven by the availability of modern software and hardware, Bayesian analysis is becoming more popular in neutron and X-ray reflectometry analysis. The understandability and replic…
Overscreening and Underscreening in Solid-Electrolyte Grain Boundary Space-Charge Layers
Jacob M. Dean, Samuel W. Coles, William R. Saunders +4
Polycrystalline solids can exhibit material properties that differ significantly from those of equivalent single-crystal samples, in part, because of a spontaneous redistribution o…
Neutron reflectometry analysis: using model-dependent methods
Andrew R. McCluskey
Neutron reflectometry analysis is an inherently ill-posed, which is to say that there are many possible solutions which agree equally well with the measured data. This leads to the…
A general approach to maximise information density in neutron reflectometry analysis
Andrew R. McCluskey, Thomas Arnold, Joshaniel F. K. Cooper +1
Neutron and X-ray reflectometry are powerful techniques facilitating the study of the structure of interfacial materials. The analysis of these techniques is ill-posed in nature re…
An introduction to classical molecular dynamics simulation for experimental scattering users
Andrew R. McCluskey, James Grant, Adam R. Symington +5
Classical molecular dynamics simulations are a common component of multi-modal analyses from scattering measurements, such as small-angle scattering and diffraction. Users of these…
Assessing molecular simulation for the analysis of lipid monolayer reflectometry
Andrew R. McCluskey, James Grant, Andrew J. Smith +5
Using molecular simulation to aid in the analysis of neutron reflectometry measurements is commonplace. However, reflectometry is a tool to probe large-scale structures, and theref…
Bayesian determination of the effect of a deep eutectic solvent on the structure of lipid monolayers
Andrew R. McCluskey, Adrian Sanchez-Fernandez, Karen J. Edler +4
In this work, we present the first example of the self-assembly of phospholipid monolayers at the interface between air and an ionic solvent. Deep eutectic solvents are a novel cla…