Theo dõi
Karl A. Wilkinson
Karl A. Wilkinson
University of Cape Town
Email được xác minh tại soton.ac.uk
Tiêu đề
Trích dẫn bởi
Trích dẫn bởi
Năm
Formicamycins, antibacterial polyketides produced by Streptomyces formicae isolated from African Tetraponera plant-ants
BWMH Zhiwei Qin, John T Munnoch, Rebecca Devine, Neil A Holmes, Ryan Seipke ...
Chemical Science, 2017
1812017
Hybrid MPI-OpenMP parallelism in the ONETEP linear-scaling electronic structure code: Application to the delamination of cellulose nano-fibrils
KA Wilkinson, NDM Hine, CK Skylaris
Journal of Chemical Theory and Computation, 2014
702014
Acceleration of the GAMESS‐UK electronic structure package on graphical processing units
KA Wilkinson, P Sherwood, MF Guest, KJ Naidoo
Journal of computational chemistry 32 (10), 2313-2318, 2011
632011
Molecular details from computational reaction dynamics for the cellobiohydrolase I glycosylation reaction
CB Barnett, KA Wilkinson, KJ Naidoo
Journal of the American Chemical Society 133 (48), 19474-19482, 2011
542011
Pyranose ring transition state is derived from cellobiohydrolase I induced conformational stability and glycosidic bond polarization
CB Barnett, KA Wilkinson, KJ Naidoo
Journal of the American Chemical Society 132 (37), 12800-12803, 2010
512010
A self‐assembled luminescent host that selectively senses ATP in water
H Ahmad, BW Hazel, AJHM Meijer, JA Thomas, KA Wilkinson
Chemistry–A European Journal 19 (16), 5081-5087, 2013
272013
Porting ONETEP to graphical processing unit‐based coprocessors. 1. FFT box operations
K Wilkinson, CK Skylaris
Journal of Computational Chemistry 34 (28), 2446-2459, 2013
222013
Ionisation of the Zinc Iodine Bond of Alkylzinc Iodides in Dimethylformamide from Theory and Experiment
L Caggiano, RFW Jackson, AJHM Meijer, BT Pickup, KA Wilkinson
Chemistry–A European Journal 14 (29), 8798-8802, 2008
192008
Optimised three-dimensional Fourier interpolation: An analysis of techniques and application to a linear-scaling density functional theory code
FP Russell, KA Wilkinson, PHJ Kelly, CK Skylaris
Computer Physics Communications 187, 8-19, 2015
82015
Generating optimized Fourier interpolation routines for density functional theory using SPIRAL
DT Popovici, FP Russell, K Wilkinson, CK Skylaris, PHJ Kelly, F Franchetti
2015 IEEE International Parallel and Distributed Processing Symposium, 743-752, 2015
52015
Spectroscopic Chemical Insights Leading to the Design of Versatile Sustainable Composites for Enhanced Marine Application
CKSRR Agnieszka Dzielendziak, James Blake, Richard Bounds, Karl Wilkinson ...
RSC Advances, 2015
22015
rsc. li/chemical-science
RD Munnoch, NA Holmes, R Seipke, KA Wilkinson, B Wilkinson, ...
Science 7 (1), 1-812, 2016
2016
Linear-Scaling Density Functional Theory Simulations of Nanomaterials with the ONETEP code: vdW-DF and PAW methodology and OpenMP/MPI hybrid parallelism
N Hine, G Constantinescu, M Payne, L Andrinopoulos, A Mostofi, ...
APS March Meeting Abstracts 2014, D27. 006, 2014
2014
Hệ thống không thể thực hiện thao tác ngay bây giờ. Hãy thử lại sau.
Bài viết 1–13