DOE INCITE awards include Blue Waters staff, collaborators

The U.S. Department of Energy has announced the projects that will receive 1.7 billion processor hours of supercomputing time through its Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program. Among the recipients are many researchers with ties to NCSA, including:

• NCSA staffer Brett Bode, the software development manager for the Blue Waters sustained-petaflop supercomputer project, is a co-principal investigator for the project Prediction of Bulk Properties Using High Accuracy ab initio Methods Interfaced with Dynamical Calculation, which has been renewed after receiving an INCITE grant in 2010. His fellow investigators are Iowa State researchers Theresa Windus, Mark Gordon, Monica Lamm, and Michael Schmidt, and Graham Fletcher from Argonne National Laboratory. Lamm, Windus and Gordon also have a Petascale Computing Resource Allocation (PRAC) from the National Science Foundation, which enables them to work with NCSA staff to prepare their chemistry code for Blue Waters. Read more about their PRAC project at: http://www.ncsa.illinois.edu/News/Stories/water/.
• Illinois computer science professor William Gropp (who is also the deputy director for research of the Institute for Advanced Computing Applications and Technologies (IACAT) and a co-principal investigator for the Blue Waters project) is a co-principal investigator for two projects that have been renewed: Performance Evaluation and Analysis Consortium End Station and Scalable System Software for Performance and Productivity.
• Klaus Schulten, leader of Illinois’ Theoretical and Computational Biophysics Group, is the principal investigator for a renewed project on Sculpting Biological Membranes by Proteins. Schulten has also been awarded a PRAC to prepare the NAMD molecular dynamics code for Blue Waters.
• Deterministic Simulations of Large Regional Earthquakes at Frequencies up to 4Hz will be carried out by Thomas H. Jordan, University of Southern California; Jacobo Bielak, Carnegie Mellon University; Po Chen, University of Wyoming; Yifeng Cui, University of California, San Diego; Philip J. Maechling, University of Southern California; and Kim Olsen, San Diego State University. Jordan and Bielak are also the lead investigators for a Blue Waters PRAC; read more at http://www.ncsa.illinois.edu/News/Stories/big_one/.
• Robert Sugar, University of California-Santa Barbara, will use DOE supercomputers for Lattice QCD simulations, with a team of other investigators. Sugar is also the lead investigator for a Blue Waters PRAC.
• Michael Norman is one of the investigators for a project investigating How High Redshift Galaxies Reionized the Universe. He is also the co-PI for a Blue Waters PRAC project; read more at http://www.ncsa.illinois.edu/News/Stories/dark_days/.

In addition, Michael Klein and Axel Kohlmeyer, Temple University, are two of the investigators on the project Coarse Grained Molecular Dynamics Studies of Vesicle Formation and Fusion. Both also are involved with NCSA through the CyberChem collaborative, which examines the application of new computing technologies to the chemical sciences.

To learn more about all of the 2011 INCITE awardees, visit: http://www.science.energy.gov/ascr/INCITE/.

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