Computer science, physics, and materials science

Rajiv Kalia is professor of computer science and materials science in the USC Viterbi School of Engineering and professor of physics and astronomy in the USC College of Letters, Arts and Sciences.

His honors include fellowships from the Foundation for Fundamental Research on Matter in the Netherlands and from the Japan Society for the Promotion of Science (JSPS). He has received a Sustained Excellence Award in Ultra-Dense, Ultra-Fast Computing Components from the Defense Advanced Research Projects Agency (DARPA).

In fall 2006, Kalia and his colleagues at USC, Harvard University, Purdue University, and California State University, Northridge received an award from the Department of Energy's program on Scientific Discovery through Advanced Computing (SciDAC-2), bringing the number of prestigious SciDAC programs at USC to three.

Recognized for his work in scalable scientific algorithms, scientific visualization, and grid computing on geographically distributed parallel computers, Kalia develops computational technologies that enable him to perform multibillion-atom simulations collaboratively on a grid of distributed, high-speed computers. He also develops visualization techniques that enable him to study nanodevices coupled to biological systems.

To understand the complex atomistic mechanisms of materials properties and processes requires interactive and explorative visualization. Kalia and his USC colleagues Priya Vashishta and Aiichiro Nakano have developed unique simulation algorithms and software that allow for molecular dynamics simulation and interactive and immersive visualization of billions of atoms. These large-scale simulations produce results that cannot be analyzed without these powerful tools.

Combining their expertise in computer science, physics, and materials science, Kalia and his collaborators are working toward developing computer simulation software that will require computer speeds ranging from the teraflop to the petaflop level-from one trillion to one quadrillion operations per second.

This unprecedented computing speed would enable researchers to carry out realistic simulations of complex systems in the fields of materials science, nanotechnology, and bioengineering. These, in turn, could help scientists explore such questions as the effect of corrosion on turbine engines and develop microscopic and highly sensitive biological sensors using nanoscale quantum dots.