
Dr Andrew McCluskey
MChem, PhD
Expertise
Andrew is interested in using new mathematical modelling techniques to improve the analysis of chemical measurements.
Current positions
Lecturer
School of Chemistry
Contact
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Biography
Research interests
The research aim of the SCAMs@bristol group is to develop powerful analysis methods for data from experiments and simulations, by including what we already know about the world — some may call this physics-informed modelling. These methods make use of cutting-edge tools developed in the data science community to ensure the maximum information is obtained from the measurement.
We believe that the next generation of data analysis will be built on an understanding of the fundamental chemistry and physics of the systems of interest.
Webpage: scams-research.github.io
Publications
Selected publications
14/01/2025Accurate Estimation of Diffusion Coefficients and their Uncertainties from Computer Simulation
Journal of Chemical Theory and Computation
Digital skills in chemical education
Nature Chemistry
A general approach to maximise information density in neutron reflectometry analysis
Machine Learning: Science and Technology
Recent publications
14/01/2025Accurate Estimation of Diffusion Coefficients and their Uncertainties from Computer Simulation
Journal of Chemical Theory and Computation
Diffusion mechanisms and preferential dynamics of promoter molecules in ZSM-5 zeolite
Catalysis Science and Technology
Kinisi
Journal of Open Source Software
Digital skills in chemical education
Nature Chemistry
The First European Spallation Source Data Management and Software Centre Summer School
Neutron News