Iowa State, Ames Lab researchers preparing for Blue Waters supercomputer | Physorg.com
Iowa State University and Ames Laboratory researchers, left to right, Theresa Windus, Monica Lamm and Mark Gordon are working to scale up their computational chemistry tools for the Blue Waters supercomputer being developed at the University of Illinois and its National Center for Supercomputing Applications.
Credit: Photo by Bob Elbert/Iowa State University.
…Blue Waters is expected to be the most powerful supercomputer in the world for open scientific research when it comes online in 2011. It will be the first system of its kind to sustain one petaflop performance - one quadrillion calculations per second - on a range of science and engineering applications.
…Gordon is studying the molecular dynamics of water because many aspects of its behavior aren’t very well understood.
…Lamm is studying how dendrimers (large polymers with many branches) bind to ligands (smaller molecules that bind with other molecules to form larger complexes). A better understanding of the binding could have applications in health technologies such as drug delivery and water treatment.
…Windus is studying aerosols in the atmosphere and how the tiny particles grow at the molecular level. She said a better understanding of aerosols is important to understanding the chemistry of the atmosphere.