Computing technology will grow by a factor of more than a thousand in the next ten to fifteen years. Our goal is to follow this computing revolution from teraflops (1012 flops) to petaflops (1015 flops). Using this unprecedented computing power, available for the first time in the history of science and engineering, it will be possible to carry out realistic simulations of complex systems and processes in the areas of materials, nanotechnology, and bioengineered systems. Coupled with immersive and interactive visualization this will offer unprecedented opportunity for research as well as modifying graduate and undergraduate education in science and engineering. 

Applications

Bio-inspired paradigms for information processing

Information processing & nanostructure-inspired applications in life sciences & bio-technologies

At the nano-scale (<=100nm)

10 million -10 billion atom bio-nano systems (inorganic, organic, biochemical) can be simulated & visualized while maintaining their atomistic nature

Web Site:
Collaboratory for Advanced Computing and Simulations (CACS)

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E-mail:                       
rkalia@usc.edu

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Mailing Address:      
Mork Family Department of Chemical Engineering and Materials Science
University of Southern California
3651 Watt Way, VHE 614
Los Angeles, CA 90089-0242                   

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Office Location:       
VHE 614

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Office Phone:          
(213) 821-2663

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Fax:                         
(213) 821-2664  

 

Education

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Research Images

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Selected Publication

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1. Nomura, Ken-ichi; Dursun, Hikmet; Seymour, Richard; Wang, Weiqiang; Kalia, Rajiv; Nakano, Aiichiro; Vashishta, Priya; Shimojo, Fuyuki; Yang, Lin, "A metascalable computing framework for large spatiotemporal-scale atomistic simulations," Proceedings of the 2009 International Parallel and Distributed Processing Symposium (IPDPS 2009) , Rome, Italy, IEEE
2. Peng, Liu; Seymour, Richard; Nomura, Ken-ichi; Kalia, Rajiv; Nakano, Aiichiro; Vashishta, Priya; Loddoch, alexander; Netzband, Michael; Volz, William; Wong, Chap, "High-order stencil computations on multicore clusters," Proceedings of the 2009 International Parallel and Distributed Processing Symposium (IPDPS 2009)
3. Nomura, Ken-ichi; Wang, Weiqiang; Kalia, Rajiv; Nakano, Aiichiro; Vashishta, Priya; Shimojo, Fuyuki, "Large spatiotemporal-scale material simulations on petaflops computers," Multiscale Simulation Methods in Molecular Sciences, December 1, 2008
4. Wang, Weiqiang; Clark, Richard; Nakano, Aiichiro; Kalia, Rajiv; Vashishta, Priya, "Multi-million atom molecular dynamics study of combustion mechanism of aluminum nanoparticle," Materials Research Society Symposium Proceedings, December 1, 2008
5. Teranishi, Masato; Okamoto, Hajime; Takeda, Kyozaburo; Nomura, Ken-ichi; Nakano, Aiichiro; Kalia, Rajiv; Vashishta, Priya; Shimojo, Fuyuki, "Molecular dynamical approach to conformational transition in peptide nanoring and nanotube ," Journal of Physical Chemistry B, November 14, 2008
6. Chen, Yi-Chun; Nomura, Ken-ichi; Kalia, Rajiv; Nakano, Aiichiro; Vashishta, Priya, "Molecular dynamics nanoindentation simulation of an energetic materials," Applied Physics Letters, Oct 2008
7. Vashishta, Priya; Kalia, Rajiv; Nakano, Aiichiro; Kaxiras, Efthimios; Grama, Ananth; Lu, Gang; Eidenbenz, Stephan; Voter, Arthur; Hood, Randy; Moriarty, John; Yang, Lin, "Hierarchical petascale simulation framework for stress corrosion cracking," Journal of Physics: Conference Series, Sep 2008
8. Peng, Liu; Nomura, Ken-ichi; Oyakawa, Takehiro; Kalia, Rajiv; Nakano, Aiichiro; Vashishta, Priya, "Parallel lattice Boltzmann flow simulation on emerging multi-core platforms," Lecture Notes in Computer Science, Aug 2008
9. Nomura, K.; de Leeuw, S.; Kalia, Rajiv; Nakano, Aiichiro; Peng, L.; Seymour, R.; Yang, L.; Vashishta, Priya, "Parallel lattice Boltzmann flow simulation on a low-cost PlayStation3 cluster," International Journal of Computational Science, Jul 2008
10. Shimojo, F.; Kalia, Rajiv; Nakano, Aiichiro; Nomura, K.; Vashishta, Priya, "Metascalable molecular dynamics simulation of nano-mechano-chemistry," Journal of Physics: Condensed Matter, Jun 2008
11. Shimojo, Fuyuki; Kalia, Rajiv; Nakano, Aiichiro; Vashishta, Priya, "Electronic processes in fast thermite reaction: a first-principles molecular dynamics study," Physical Review E, Jun 2008
12. Branicio, Paulo; Kalia, Rajiv; Nakano, Aiichiro; Vashishta, Priya; Shimojo, Fuyuki; Rino, Jose, "Atomistic damage mechanisms during hypervelocity projectile impact on AlN: a large-scale parallel molecular dynamics simulation study," Journal of the Mechanics and Physics of Solids, May 2008
13. Nishimura, Kenji; Kalia, Rajiv; Nakano, Aiichiro; Vashishta, Priya, "Nanoindentation hardness anisotropy of alumina crystal: a molecular-dynamics study," Applied Physics Letters, Apr 2008
14. Zhang, Cheng; Branicio, Paulo; Kalia, Rajiv; Nakano, Aiichiro; Vashishta, Priya, "Deformations and failure of α-alumina under hypervelocity impact loading," Journal of Applied Physics, Apr 2008, 103, 083508: 1-15
15. Vashishta, Priya; Kalia, Rajiv; Nakano, Aiichiro; Rino, Jose, "Interaction potentials for alumina and molecular dynamics simulations of amorphous and liquid alumina," Journal of Applied Physics, Apr 2008
16. Shimojo, F.; Kalia, Rajiv; Nakano, Aiichiro; Vashishta, Priya, "Divide-and-conquer density functional theory on hierarchical real-space grids: parallel implementation and applications," Physical Review B, Feb 2008
17. Nakano, Aiichiro; Kalia, Rajiv; Nomura, K.; Sharma, A.; Vashishta, Priya; Shimojo, F.; van Duin, A.; Goddard, W.; Biswas, R.; Srivastava, D.; Yang, L., "De novo ultrascale atomistic simulations on high-end parallel supercomputers," International Journal of High Performance Computing Applications, Feb 2008
18. Nomura, K.; Kalia, Rajiv; Nakano, Aiichiro; Vashishta, Priya, "A scalable parallel algorithm for large-scale reactive force-field molecular dynamics simulations," Computer Physics Communications, Jan 2008