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Tag: computational chemistry

Cycle Spins Up 50,000-core Cluster in Amazon Cloud

Apr 24, 2012 |

The case for utility supercomputing just got a lot bigger, literally. Cycle Computing has created a 50,000-core virtual supercomputer to assist in the development of novel drug compounds for cancer research.

Lighting a Fire Under Combustion Simulation

Jun 1, 2011 |

Combustion simulation might seem like the ultimate in esoteric technologies, but auto companies, aircraft firms and fuel designers need increasingly sophisticated software to serve the needs of 21st century engine designs. HPCwire recently got the opportunity to take a look at Reaction Design, one of the premier makers of combustion simulation software, and talk with its CEO, Bernie Rosenthal.

GPUs Accelerate Scientific Progress

Nov 4, 2010 |

Originally designed for video games, GPUs are now making their mark in the world of chemistry.

The Looming Petascale

Apr 13, 2009 |

Chemists are lining up in anticipation of the petascale computers that will soon be coming on-line.