Center for Computational Research
| Russ Miller | |
| Director, Center for Computational Research | |
| UB Distinguished Professor, Computer Science & Engineering | |
| Senior Research Scientist, Hauptman-Woodward Medical Inst | |
| Supercomputing Center | ||
| High-Performance Computing (9TF; 250TB) | ||
| gapcon.com: 6th Worldwide; #1 Academia | ||
| High-End Visualization | ||
| $42M New Grants; $46M Vendor Support | ||
| Support ~100 Groups in ~25 Depts + 12 Industry | ||
| Bioinformatics Center | ||
| $61M NYS; $3M Feds; $53M New Grants; | ||
| $3.5 Foundation; $135M Corporate | ||
| Education/Outreach/Training | ||
| H.S. Summer Program | ||
| Hosts Meetings/Provides Tours | ||
| Work with Local Industry & Local Colleges | ||
| Wide-Variety of Degree Programs | ||
| Dell Linux Cluster | ||
| 5.8TF Peak; 4036 Processors (PIII 1.2GHz + P4 2.4GHz) | ||
| 2TB RAM; 160TB Disk | ||
| 16TB RAID | ||
| Dell Linux Cluster | ||
| 2.9TF Peak; 304 Processors (P4 2.4GHz) | ||
| Myrinet2000 | ||
| 600GB RAM; 40TB Disk | ||
| HP/Compaq SAN (Oct, 2002) | ||
| 25TB Disk | ||
| 250TB Tape | ||
| HP/Compaq 1TF EV7 Alpha System (3/03) | ||
| Fakespace ImmersaDesk | |
| SGI 3300W | |
| Portable Systems | |
| Access Grid Node | |
| Tiled Display Wall | |
| Onyx2 / Onyx300 |
| Groundwater Modeling | ||
| Predict contaminant flow in groundwater & possible migration into streams and lakes. | ||
| Geophysical Mass Flows | ||
| Study of geophysical mass flows for risk assessment of lava flows and mudslides. | ||
| Astrophysics | ||
| Determine whether interacting astrophysical jets in dense star environments can generate turbulence in surrounding medium | ||
| Bioinformatics | ||
| Protein Folding (Computer simulations determine the 3D structure of proteins.) | ||
| Pharmacology | ||
| Computational Chemistry | ||
| Algorithm Development & Simulations | ||
| Fluid Dynamics | ||
| Modeling turbulent flows and combustion to improve design of chemical reactors, turbine engines, and airplanes. | ||
| Current work is based on Analytic Element Method | ||
| Key features: | ||
| High precision | ||
| Highly parallel | ||
| Object-oriented programming | ||
| Intelligent user interface | ||
| GIS facilitates large-scale regional applications | ||
| Utilized 10,661 CPU days (32 CPU years) of computing in past year on CCR’s commodity clusters | ||
Computational Geophysical Mass Flows
| Integrate information from several sources | ||
| Simulation results | ||
| Remote sensing | ||
| GIS data | ||
| Develop realistic 3D models of geophysical mass flows | ||
| Present information at user appropriate resolutions | ||
Molecular Structure Determination
| SnB Software by UB/HWI | ||
| “Top Algorithms of the Century” | ||
| Critical to Rational Drug Design | ||
| Important Link in Structural Biology | ||
| Current Effort | ||
| Grid | ||
| Collaboratory | ||
| Intelligent Learning | ||
| Ability of proteins to perform biological function is attributed to their 3-D structure. | |
| Protein folding problem refers to the challenge of predicting 3-D structure from amino-acid sequence. | |
| Solving the protein folding problem will impact drug design. |
| 3D Reconstruction of CT Dataset | |
| Created with the Visualization Toolkit (VTK) on a Linux Workstation | |
| 3D Isosurface Clearly Shows Structure that is Nearly Impossible to Determine from 2D Slices |
| Master’s Program in Bioinformatics (Sloan) | ||
| Advanced Degrees under development | ||
| Pharmacometrics, Biophotonics, Computational Chemistry, Molecular Biology | ||
| School of Informatics (AT&T curr. dev.) | ||
| UB-HWI Dept. of Structural Biology | ||
| Complementary Degrees | ||
| Canisius College and Niagara University | ||
| miller@buffalo.edu | |
| www.ccr.buffalo.edu | |
| www.bioinformatics.buffalo.edu | |