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Karl A. Wilkinson
Karl A. Wilkinson
University of Southampton
Fast Fourier transform
Parallel computing
Computer science
Theoretical computer science
Density functional theory
6
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69
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Spectroscopic chemical insights leading to the design of versatile sustainable composites for enhanced marine application
2015
RSC Advances
Agnieszka S. Dzielendziak
J.I.R. Blake
Richard Bounds
Karl A. Wilkinson
Marina Carravetta
A.R. Chambers
Chris-Kriton Skylaris
Robert Raja
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Generating Optimized Fourier Interpolation Routines for Density Functional Theory Using SPIRAL
2015
IPDPS | International Parallel and Distributed Processing Symposium
Doru Thom Popovici
Francis P. Russel
Karl A. Wilkinson
Chris-Kriton Skylaris
Paul H. J. Kelly
Franz Franchetti
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Optimised three-dimensional Fourier interpolation: An analysis of techniques and application to a linear-scaling density functional theory code
2015
Computer Physics Communications
Francis P. Russell
Karl A. Wilkinson
Paul H. J. Kelly
Chris-Kriton Skylaris
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Hybrid MPI-OpenMP Parallelism in the ONETEP Linear-Scaling Electronic Structure Code: Application to the Delamination of Cellulose Nanofibrils.
2014
Journal of Chemical Theory and Computation
Karl A. Wilkinson
Nicholas D. M. Hine
Chris-Kriton Skylaris
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Linear-Scaling Density Functional Theory Simulations of Nanomaterials with the ONETEP code: vdW-DF and PAW methodology and OpenMP/MPI hybrid parallelism
2014
Bulletin of the American Physical Society
Nicholas D. M. Hine
Gabriel C. Constantinescu
M. C. Payne
Lampros Andrinopoulos
Arash A. Mostofi
Peter D. Haynes
Karl A. Wilkinson
Jacek Dziedzic
Chris-Kriton Skylaris
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