Modeling, simulation, & visualization

INCITE awards accelerate supercomputing research October 29, 2012

The U.S. Department of Energy’s Leadership Computing Facilities have awarded a combined 4.7 billion supercomputing core hours to 61 science and engineering projects with high potential for accelerating discovery and innovation through its Innovative and Novel Computational Impact on Theory and Experiment program.

SHARP could slash nuclear reactor design costsJuly 1, 2012

Researchers are using some of the world’s most powerful computers at the Argonne Leadership Computing Facility to take a leap forward in nuclear reactor design, analysis and engineering.

Rapid procedure for the exploration of chemical compound spaceFebruary 27, 2012

By combining quantum chemistry with artificial intelligence (machine learning), researchers at the Institute for Pure and Applied Mathematics at UCLA achieved a scientific breakthrough expected to aid in exploring chemical compound space, i.e., the virtual space populated by all possible chemical compounds. The interdisciplinary team from the Technische Universität Berlin, the Fritz-Haber Institute of the Max-Planck Society, and the Argonne Leadership Computing Facility dramatically increased the speed of calculating energies of small molecules with quantum chemical accuracy.