699 citations · 701 across the 2 of their papers we have counts for
3 papers
NWChem: Past, Present, and Future
E. Aprà, E. J. Bylaska, W. A. de Jong +111
Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts…
Toward a Standard Interface for User-Defined Scheduling in OpenMP
Vivek Kale, Christian Iwainsky, Michael Klemm +2
Parallel loops are an important part of OpenMP programs. Efficient scheduling of parallel loops can improve performance of the programs. The current OpenMP specification only offer…
Using the pyMIC Offload Module in PyFR
Michael Klemm, Freddie Witherden, Peter Vincent
PyFR is an open-source high-order accurate computational fluid dynamics solver for unstructured grids. It is designed to efficiently solve the compressible Navier-Stokes equations…