Andrew McCluskey's Projects
scripts and notes for book club
Neutron and X-ray Reflectometry from Computer Simulation
molecular SAS fitting with MPI
Reflectometry analysis in Julia
A Python package for estimating diffusion properties from molecular dynamics simulations.
ESI for "Is there still a place for linearization in the chemistry curriculum?"
ESI for "Bayesian determination of the effect of a deep eutectic solvent on the structure of lipid monolayers"
ESI for "A general approach to maximise information density in neutron reflectometry analysis"
ESI for "Accurate estimation of diffusion coefficients and their uncertainties from computer simulation"
Teaching Utility for Classical Atomistic Simulation.
A short tutorial on the mathematics of reflectometry analysis
The ORSO webpages live here
ESI for "Advice on describing Bayesian analysis of neutron and X-ray reflectometry"
my CV along with tex input
Reproducible research papers talk material at the Bath Uni Hackerwithin
Material to run a scicat workshop for users of all backgrounds
ESI for "An introduction to classical molecular dynamics simulation for experimental scattering users"
ESI for "Assessing molecular simulation for the analysis of lipid monolayer reflectometry"
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
ESI for "Coarse-grained modelling for soft matter scattering"
A straightforward Bayesian data fitting library