Imperial College London

Dr Laura Ratcliff

Faculty of EngineeringDepartment of Materials

Honorary Lecturer







2M14Royal School of MinesSouth Kensington Campus





I am an EPSRC Early Career Research Fellow in the Department of Materials.  My research centres around the development of new methods for first principles materials modelling, with a focus on simulating large systems containing several hundred to a few tens of thousands of atoms.  I'm a developer of three codes which use density functional theory, and am interested both in the development of software which enables the efficient use of massively parallel computers, and in the application of such software to a range of materials and properties.

For more information, please also visit my research group website.


  • 04/2017 - 11/2017: Research Associate, Department of Materials, Imperial College London
  • 03/2014 - 03/2017: Postdoctoral Appointee, Leadership Computing Facility, Argonne National Laboratory, Illinois, USA
  • 02/2012 - 02/2014: Postdoctoral Researcher, L_Sim Laboratory of Atomistic Simulation, CEA Grenoble, France
  • 10/2011 - 12/2011: Research Assistant, Department of Materials, Imperial College London
  • 10/2008 - 09/2011: PhD, Department of Materials, Imperial College London
  • 10/2004 - 06/2008: MPhys Theoretical Physics (with a year in Europe), University of York
  • 09/2006 - 05/2007: Erasmus exchange, L’Université des Sciences et Technologies de Lille, France



Fernando NK, Stella M, Dawson W, et al., 2022, Probing disorder in 2CzPN using core and valence states, Physical Chemistry Chemical Physics, Vol:24, ISSN:1463-9076, Pages:23329-23339

Ratcliff LE, Oshima T, Nippert F, et al., 2022, Tackling Disorder in γ‐Ga <sub>2</sub> O <sub>3</sub>, Advanced Materials, Vol:34, ISSN:0935-9648, Pages:2204217-2204217

Ratcliff LE, Oshima T, Nippert F, et al., 2022, Tackling Disorder in gamma-Ga2O3, Advanced Materials, Vol:34, ISSN:0935-9648

Stella M, Thapa K, Genovese L, et al., 2022, Transition-Based Constrained DFT for the Robust and Reliable Treatment of Excitations in Supramolecular Systems, Journal of Chemical Theory and Computation, Vol:18, ISSN:1549-9618, Pages:3027-3038

Dawson W, Degomme A, Stella M, et al., 2022, Density functional theory calculations of large systems: Interplay between fragments, observables, and computational complexity, Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol:12, ISSN:1759-0876, Pages:1-28

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