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Dr. Sanghamitra Mukhopadhyay is ​acting Group Leader and an instrument scientist in quasi ela​stic neutron scattering (QENS) instruments, IRIS and OSIRIS, in Molecular Spectroscopy Group at ISIS.

The focus of her research is to investigate the structure - dynamics relations in functional materials using neutron and optical spectroscopies and to integrate atomistic simulations, both first principles density functional theory (DFT) and molecular dynamics (MD), to analyse and interprete neutron scattering experiments of these materials. 

Her​ 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

She leads 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. 

She has  co-organised MDANSE School Series (MDANSE2022​MDANSE2018MDANSE2016),  Faraday Joint Interest Group Conference 2021​, MSSM2015 users meeting and CMMP2010 (Energy Materials Symposium) at IOP.

She also holds national and international positions:

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