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I am an instrument scientist in quasi ela​stic neutron scattering (QENS) instruments, IRIS and OSIRIS, at ISIS.

The focus of my research is to integrate atomistic simulations, both first principles density functional theory (DFT) and molecular dynamics (MD), of functional materials to analyse and interprete neutron scattering experiments. 

My research interests include:

  • functional materials for organic ferroelectrics and solar cells
  • energy materials for high temperature solid oxide fuel cells​
  • sodium ion battery materials
  • molten salts and ionic liquids
  • dynamics on surfaces, interfaces and catalysis
  • simulations of neutron spectroscopy using lattice dynamics and molecular dynamics

I lead the coordination of scientific software activities for the molecular spectroscopy group. This includes development and maintenance of data analysis and reduction software Mantid, the abINS software for interpretation of inelastic neutron scattering (INS),  the data analysis interface of QENS spectra within Mantid, and MDANSE software for interpretation of QENS spectroscopy using MD simulations. 

The abINS  software and the development of graphical users interface (GUI) for QENS data analysis on Mantid were funded by SINE2020. The refactoring ​ of MDANSE software was funded by Ada Lovelace Centre. 

I have co-organised  Faraday Joint Interest Group Conference 2021​, MDANSE2018, MDANSE2016 schools, MSSM2015 users meeting and CMMP2010 (Energy Materials Symposium) at IOP.

My publications will be found in ePubs​ and Google Scholar.