Dr Laura Ratcliff

Faculty of Engineering, Department of Materials

Honorary Lecturer

Contact

Location

2M14Royal School of MinesSouth Kensington Campus

Summary

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.

Biography

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

Publications

Journals

Fernando NK, Stella M, Dawson W, et al.Fernando NK, Stella M, Dawson W, Nakajima T, Genovese L, Regoutz A, Ratcliff LE close, 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.Ratcliff LE, Oshima T, Nippert F, Janzen BM, Kluth E, Goldhahn R, Feneberg M, Mazzolini P, Bierwagen O, Wouters C, Nofal M, Albrecht M, Swallow JEN, Jones LAH, Thakur PK, Lee T, Kalha C, Schlueter C, Veal TD, Varley JB, Wagner MR, Regoutz A close, 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.Ratcliff LE, Oshima T, Nippert F, Janzen BM, Kluth E, Goldhahn R, Feneberg M, Mazzolini P, Bierwagen O, Wouters C, Nofal M, Albrecht M, Swallow JEN, Jones LAH, Thakur PK, Lee T-L, Kalha C, Schlueter C, Veal TD, Varley JB, Wagner MR, Regoutz A close, 2022, Tackling Disorder in gamma-Ga2O3, Advanced Materials, Vol:34, ISSN:0935-9648

Stella M, Thapa K, Genovese L, et al.Stella M, Thapa K, Genovese L, Ratcliff LE close, 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.Dawson W, Degomme A, Stella M, Nakajima T, Ratcliff LE, Genovese L close, 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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