Experience
Education
Bio
Ph.D. University of Tokyo, Japan, 1989 。 We have demonstrated: 1) unprecedented scales of quantum-mechanically accurate and well validated, chemically reactive molecular-dynamics (MD) simulations--1.72 billion-atom reactive force-field MD and 1.68 trillion degrees-of-freedom quantum-mechanical (QM) MD in the framework of density functional theory on adaptive multigrids--in addition to 218 billion-atom space-time multiresolution MD, with parallel efficiency 0.99 on 212,992 BlueGene/L processors; 2) an automated execution of hierarchical QM/MD simulation on a Grid of 6 supercomputer centers, in which the number of processors changed dynamically on demand and resources were allocated and migrated dynamically in response to unexpected faults; and 3) real-time visualization of a billion-atom chemical bond network, with an embedded graph-based topological analysis. With Professors Priya Vashishta and Rajiv Kalia, I have co-founded CACS in 2002. The vision of CACS is: 1) to follow advances in computing technologies (hardware, software, algorithms) from teraflops to petaflops and beyond, to establish a comprehensive collaborative environment for geographically distributed computational scientists and information technology (IT) experts to perform the largest bio-nano simulations; and 2) to establish educational programs to propel students into careers in emerging areas of nano, bio, and information technologies both in academic and industrial settings. CACS has excellent computing and visualization facilities: a 2,048-processors, 6 teraflops Opteron- and Xeon-based Linux cluster, and a visualization laboratory with an 8' by 14' tiled display and an immersive and interactive 3D visualization environment. At USC, we have introduced a dual-degree program that allows students to obtain a Ph.D. in the physical sciences/engineering and an MS in Computer Science (CS). I have developed an MSCS program with specialization in High Performance Computing and Simulations (MSCS-HPCS), for which I serve as the coordinator. For the MSCS-HPCS program, I have developed HPCS courses: CSCI596 (Scientific Computing and Visualization), CSCI653 (High Performance Computing and Simulations), and PHYS516 (Methods of Computational Physics). Selected Publications: A. Nakano, R. K. Kalia, K. Nomura, A. Sharma, P. Vashishta, F. Shimojo, A. C. T. van Duin, W. A. Goddard, III, R. Biswas, D. Srivastava, and L. H. Yang, "De novo ultrascale atomistic simulations on high-end parallel supercomputers," International Journal of High Performance Computing Applications, in press. A. Nakano, R. K. Kalia, K. Nomura, A. Sharma, P. Vashishta, F. Shimojo, A. C. T. van Duin, W. A. Goddard, III, R. Biswas, and D. Srivastava, "A divide-and-conquer/cellular-decomposition framework for million-to-billion atom simulations of chemical reactions," Computational Materials Science 38, 642 (2007). H. Takemiya, Y. Tanaka, S. Sekiguchi, S. Ogata, R. K. Kalia, A. Nakano, and P. Vashishta, "Sustainable adaptive Grid supercomputing: multiscale simulation of semiconductor processing across the Pacific," in Proceedings of Supercomputing 2006 (SC06), IEEE/ACM, 2006. C. Zhang, B. Bansal, P. S. Branicio, R. K. Kalia, A. Nakano, A. Sharma, and P. Vashishta, "Collision-free spatial hash functions for structural analysis of billion-vertex chemical bond networks," Computer Physics Communications 175, 339 (2006).