People - Written by on November 15, 2010

ORNL’s Apra Takes HPCWire Readers’ Choice Award

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Award recognizes achievement in scaling computational chemistry application

ORNL's Edo Apra won the 2010 HPCwire Reader's Choice Award for Top Supercomputing Achievement.

Oak Ridge National Laboratory computational chemist Edoardo Aprà is winner of this year’s HPCwire Reader’s Choice Award in supercomputing achievement.

The awards were passed out Monday, November 10, in New Orleans at the 2010 International Conference for High Performance Computing, Networking, Storage and Analysis, better known as SC10.

Aprà was honored for his work with a computational chemistry application known as NWChem, which was developed at Pacific Northwest National Laboratory. Under Aprà’s guidance, the application reached 1.39 thousand trillion calculations per second, or 1.39 petaflops, on ORNL’s Cray XT5 Jaguar system.

NWChem helped Aprà and his colleagues uncover the electronic structure of water using a quantum chemistry technique called coupled cluster. They published some of their scientific results in the October 12 issue of the Journal of Physical Chemistry Letters (pubs.acs.org/doi/full/10.1021/jz101245s). The team was also a finalist for the prestigious 2009 Gordon Bell Prize, which recognizes the world’s top supercomputing application.

“Top supercomputing achievement” is one of about 20 categories offered in the awards. The Readers’ Choice winners are determined through polling among HPCwire’s online audience. The site’s 30,000 newsletter subscribers are also asked to vote.