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Dr Lucy Whalley

VC Fellow

Department: Mathematics, Physics and Electrical Engineering


  • Materials Science PhD January 01 2020
  • Teacher Training PGCE July 01 2012
  • Theoretical Physics Other Qualification July 19 2011
  • Qualified Teacher Learning and Skills QTLS 2011

Further Information

I am a qualified teacher in post-compulsory education, and have taught mathematics and research computing in a number of contexts. As a fellow of the Software Sustainability Institute I am interested in how we can improve research practice in the computational sciences - with a focus on working openly and software publishing.

Research Themes and Scholarly Interests

I use electronic structure methods and high performance computing to investigate the structural, optical and transport properties of new materials for energy generation and storage. I am particularly interested in building models that incorporate the effects of atomic vibrations and defects.


Key Publications

  • Please visit the Pure Research Information Portal for further information
  • Accumulation of Deep Traps at Grain Boundaries in Halide Perovskites, Park, J., Calbo, J., Jung, Y., Whalley, L., Walsh, A. 14 Jun 2019, In: ACS Energy Letters
  • Impact of nonparabolic electronic band structure on the optical and transport properties of photovoltaic materials, Whalley, L., Frost, J., Morgan, B., Walsh, A. 26 Feb 2019, In: Physical Review B
  • Intrinsic doping limit and defect-assisted luminescence in Cs4PbBr6, Jung, Y., Calbo, J., Park, J., Whalley, L., Kim, S., Walsh, A. 21 Sep 2019, In: Journal of Materials Chemistry A
  • H-Center and V-Center Defects in Hybrid Halide Perovskites, Whalley, L., Crespo-Otero, R., Walsh, A. 8 Dec 2017, In: ACS Energy Letters
  • Slow Cooling of Hot Polarons in Halide Perovskite Solar Cells, Frost, J., Whalley, L., Walsh, A. 8 Dec 2017, In: ACS Energy Letters
  • Phonon anharmonicity, lifetimes, and thermal transport in CH3NH3PbI3 from many-body perturbation theory, Whalley, L., Skelton, J., Frost, J., Walsh, A. 8 Dec 2016, In: Physical Review B

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