DOI: 10.1021/ct500686r. Hybrid MPI-OpenMP Parallelism in the ONETEP Linear-Scaling Electronic Structure Code: Application to the Delamination of Cellulose Nanofibrils

Hybrid MPI-OpenMP Parallelism in the ONETEP Linear-Scaling Electronic Structure Code: Application to the Delamination of Cellulose Nanofibrils

10.1021/ct500686r

Crossref journal-article

American Chemical Society (ACS)

Journal of Chemical Theory and Computation (316)

Bibliography

Wilkinson, K. A., Hine, N. D. M., & Skylaris, C.-K. (2014). Hybrid MPI-OpenMP Parallelism in the ONETEP Linear-Scaling Electronic Structure Code: Application to the Delamination of Cellulose Nanofibrils. Journal of Chemical Theory and Computation, 10(11), 4782â4794.

Authors 3

Karl A. Wilkinson (first)
Nicholas D. M. Hine (additional)
Chris-Kriton Skylaris (additional)

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Dates

Type	When
Created	10 years, 10 months ago (Oct. 10, 2014, 5:23 p.m.)
Deposited	2 years, 4 months ago (April 17, 2023, 10:16 p.m.)
Indexed	6 months ago (Feb. 21, 2025, 7:40 a.m.)
Issued	10 years, 10 months ago (Oct. 21, 2014)
Published	10 years, 10 months ago (Oct. 21, 2014)
Published Online	10 years, 10 months ago (Oct. 21, 2014)
Published Print	10 years, 9 months ago (Nov. 11, 2014)

Funders 2

Engineering and Physical Sciences Research Council 10.13039/501100000266
Region: Europe
gov (National government)
Labels4
1. UKRI Engineering and Physical Sciences Research Council
2. Engineering and Physical Sciences Research Council - UKRI
3. Engineering & Physical Sciences Research Council
4. EPSRC
Awards1
1. EP/I006613/1
University of Cambridge 10.13039/501100000735
Region: Europe
gov (Universities (academic only))
Labels5
1. University of Cambridge in United Kingdom
2. cambridgeuniversity
3. Universitas Cantabrigiensis
4. Cambridge University
5. Cambridge_University

BibTeX

@article{Wilkinson_2014, title={Hybrid MPI-OpenMP Parallelism in the ONETEP Linear-Scaling Electronic Structure Code: Application to the Delamination of Cellulose Nanofibrils}, volume={10}, ISSN={1549-9626}, url={http://dx.doi.org/10.1021/ct500686r}, DOI={10.1021/ct500686r}, number={11}, journal={Journal of Chemical Theory and Computation}, publisher={American Chemical Society (ACS)}, author={Wilkinson, Karl A. and Hine, Nicholas D. M. and Skylaris, Chris-Kriton}, year={2014}, month=oct, pages={4782–4794} }

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