Cyber Chem
Cyber Chem News
This collaborative project examines the application of new computing technologies—those most likely to be found in the petascale computers of tomorrow—to the chemical sciences, through a multidisciplinary team with expertise in chemistry, computer science and technology, and computer engineering. The initial focus is on chemical applications that are known to make heavy use of existing supercomputing facilities. These span a broad range of computational chemistry and, thus, can be viewed as prototypes for a larger class of applications. The goal is to assess the performance of these applications on the technologies expected to be the basis for future petascale computers, identify the bottlenecks limiting the performance of the applications on the new technologies, and seek solutions to the problems.