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

Title
Hybrid MPI-OpenMP Parallelism in the ONETEP Linear-Scaling Electronic Structure Code: Application to the Delamination of Cellulose Nanofibrils
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 10, Issue 11, Pages 4782-4794
Publisher
American Chemical Society (ACS)
Online
2014-10-11
DOI
10.1021/ct500686r

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