
Dr Andrew McCluskey
MChem, PhD
Expertise
Andrew is interested in how computational simulation, mathematical modelling, and neutron scattering can help us to understand the dynamics of molecules in the liquid state.
Current positions
Senior 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. Recently, we have been focusing on the use of computational simulation, mathematical modelling, and neutron scattering to probe the dynamics of molecules in solution.
Webpage: scams-research.github.io
Projects and supervisions
Research projects
AIchemy Travel Grant - Harry Richardson
Principal Investigator
Managing organisational unit
School of ChemistryDates
02/10/2025 to 31/08/2026
ISIS Experiment Consumables Funding Support - RB2420517
Principal Investigator
Managing organisational unit
School of ChemistryDates
01/08/2025 to 31/12/2025
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
Following the structural changes of triolein films during lipolysis
Soft Matter
On the estimation of center of mass in periodic systems
The Journal of Chemical Physics
Diffusion mechanisms and preferential dynamics of promoter molecules in ZSM-5 zeolite
Catalysis Science and Technology
Kinisi
Journal of Open Source Software

