sponsored byIEEEACMThe International Conference for High Performance 
Computing, Networking, Storage and Analysis
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SCHEDULE: NOV 16-21, 2014

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SESSION: QuantumChemistry500

EVENT TYPE: Birds of a Feather

TIME: 12:15PM - 1:15PM

SESSION LEADER(S):Maho Nakata, Toshiyuki Hirano, Kazuya Ishimura



Quantum chemistry or computational chemistry are now widely used by researchers and many good program packages are available. However, there are
still many issues for massively parallel implementations. In this BoF, we would like to establish a performance index for quantum chemistry programs with we will discuss and consider how fast SCF (or other methods) calculations are, and how large molecules we can calculate, and most importantly, how parallel program packages are, and which systems can calculate large molecules fastest?

Session Leader Details:

Maho Nakata (Primary Session Leader) - RIKEN

Toshiyuki Hirano (Secondary Session Leader) - University of Tokyo

Kazuya Ishimura (Secondary Session Leader) - Institute For Molecular Science

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