Aiichiro Nakano
anakano@usc.edu
Professor of Computer Science, Physics & Astronomy, and Chemical Engineering & Materials SciencePh.D. University of Tokyo, Japan, 1989
Contact Information
Collaboratory for Advanced Computing and Simulations (CACS)Department of Computer Science
Department of Physics & Astronomy
Mork Family Department of Chemical Engineering & Materials Science
University of Southern California
3651 Watt Way, VHE 610
Los Angeles, CA 90089-0242
Tel: 213-821-2657
Fax: 213-821-2664
Research Interests
High-end scientific computing on geographically distributed parallel supercomputers and virtual environment:
1) divide-and-conquer simulation algorithms based on spatial locality with low time/space/bandwidth complexity and tight error control;
2) a space-time-ensemble parallel approach based on temporal locality to predict long-time dynamics;
3) metascalable ("design once, scale on new architectures") parallel-and-distributed supercomputing frameworks;
4) immersive and interactive visualization and mining of large scientific datasets (billion-atom chemical bond networks);
5) hierarchical simulations and validation that automatically embed quantum-mechanical and atomistic calculations within continuum calculation on demand with guaranteed quality-of-solutions; and
6) high-end computational materials science.
We have demonstrated:
1) unprecedented scales of quantum-mechanically accurate and well validated, chemically reactive molecular-dynamics (MD) simulations--2.5 billion-atom reactive force-field MD and 2.6 trillion electronic degrees-of-freedom (30 million-atom) quantum-mechanical (QM) MD in the framework of density functional theory on adaptive multigrids--in addition to 1.0 trillion-atom space-time multiresolution MD, with parallel efficiency well over 0.95 on 163,840 BlueGene/P processors;
2) an automated execution of hierarchical QM/MD simulation on a Grid of 6 supercomputer centers in the US and Japan, 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.
