Distributed Cyberinfrastructure Supporting the Chemical Sciences and Engineering Challenges for the Chemical Sciences in the 21 st Century Workshop on Information & Communications National Academy of Sciences Washington, DC October 31, 2002 Dr. Larry Smarr Director, California Institute for Telecommunications and Information Technologies Professor, Dept. of Computer Science and Engineering Jacobs School of Engineering, UCSD

California Has Initiated Four New Institutes for Science and Innovation UCSB UCLA California NanoSystems Institute UCSF UCB California Institute for Bioengineering, Biotechnology, and Quantitative Biomedical Research UCI UCSD California Institute for Telecommunications and Information Technology Center for Information Technology Research in the Interest of Society UCSC UCD UCM

Non-Traditional Chemical Engineering Challenge I—a Single Eukaryotic Cell Organelles –4 Million Ribosomes –30,000 Proteasomes –Dozens of Mitochondria Macromolecules –5 Billion Proteins –5,000 to 10,000 different species –1 meter of DNA with Several Billion bases –60 Million tRNAs –700,000 mRNAs Chemical Pathways –Vast numbers –Tightly coupled Is a Virtual Cell Possible?

Non-Traditional Chemical Engineering Challenge II— Star Formation Regions Eagle Nebula M16 J. Hester, P. Scowen, NASA Hubble ST One Light Year The First Stars Born Kill the Later Ones

NIH is Creating a Federated Repository Biomedical Informatics Research Network National Partnership for Advanced Computational Infrastructure Part of the UCSD CRBS Center for Research on Biological Structure NIH Plans to Expand BIRN to Other Organs and Many Laboratories

NSF’s EarthScope Rollout Over 14 Years Starting With Existing Broadband Stations

Distributed Data Grid Supporting International Particle Physics Experiments Source: Harvey Newman, Caltech

Similar Needs for Many Other e-Science Community Resources ATLAS Sloan Digital Sky Survey LHC ALMA

Why the Grid is the Future— Eliminating Bandwidth as a Barrier to Science Scientific American, January 2001

(WDM) Parallelism Has Come to Optical Networking Source: Steve Wallach, Chiaro Networks “Lambdas”

Science Drivers for a Radical New Architecture—The OptIPuter Neuro & Earth Sciences, Chemical Engineering –Each Data Object is 3D and Gigabytes –Data in Distributed Federated Repository –Want to Interactively Analyze and Visualize –Need Multiple Disciplinary Specialists Science Requirements for Dedicated Link –Computing Requirements  PC Clusters –Communications  Dedicated Lambdas –Data  Large Lambda Attached Storage –Visualization  Collaborative Volume Algorithms Goal: Punch a Hole Through the Internet Between Researcher’s Lab and Remote Data!

switch Cluster – Disk Disk – Disk Viz – Disk DB – Cluster Cluster – Cluster Medical Imaging and Microscopy Chemistry, Engineering, Arts San Diego Supercomputer Center Scripps Institution of Oceanography Oracle DBServer switch DWDM Switch Coupling Computing, Data, Visualization by a Central Campus WDM Optical Switch The OptIPuter Project

Creating Metro, Regional, State, National, and Planetary Optical Networking Laboratories Vancouver Seattle Portland San Francisco Los Angeles San Diego (SDSC) NCSA SURFnet CERN CA* net4 Asia Pacific Asia Pacific AMPATH PSC Atlanta CA*net4 Source: Tom DeFanti and Maxine Brown, UIC NYC TeraGrid DTFnet CENIC Pacific Light Rail Chicago UIC NU USC UCSD, SDSU UCI

From Telephone Conference Calls to Access Grid International Video Meetings Access Grid Lead-Argonne NSF STARTAP Lead-UIC’s Elec. Vis. Lab Creating a Virtual Global Research Lab

Routers Wireless Sensor Nets, Personal Communicators Routers Loosely Coupled Peer-to-Peer Computing & Storage Providing a 21 st Century Internet Grid Infrastructure Tightly Coupled Optically-Connected LambdaGrid Core Source: Phil Papadopolous, SDSC/Cal-(IT) 2 & Greg Hidley, Cal-(IT) 2

Transitioning to the “Always-On” Mobile Internet ,000 1,200 1,400 1,600 1,800 2, Mobile Internet Fixed Internet Subscribers (millions) Source: Ericsson

Using Students to Invent the Future of Widespread Use of Wireless Devices Year- Long “Living Laboratory” Experiment –500 Computer Science & Engineering Undergraduates 300 Entering UCSD Sixth College Students—Fall 2002 Experiments with Geo-Location and Interactive Maps –Geo-Buddies –Active Classroom Cal-(IT) 2 Team: Bill Griswold, Gabriele Wienhausen, UCSD; Rajesh Gupta, UCI UC San Diego UC Irvine

NSF’s ROADnet—Bringing SensorNets to the Dirt Roads and the High Seas High Bandwidth Wireless Internet –Linking Sensors for: –Seismology –Oceanography –Climate –Hydrology –Ecology –Geodesy –Real-Time Data Management Joint Collaboration Between: –SIO / IGPP –UCSD –SDSC / HPWREN –SDSU –Cal-(IT) 2 Industrial Cost Sharing Santa Margarita Ecological Reserve R/V Revelle in Lyttleton, NZ

Santa Margarita Ecological Reserve Water Chemistry Quality Stations Source, Dan Cayan, UCSD SIO

Goal for This Decade Put Chemical Laboratories on a Chip Source: ANL and Greg McRae, MIT $ 10 Cermet Sensor $ 300,000

Potential for Dramatic Increase in Spatial Coverage of Chemical Sensors Schools in Los Angeles Unified School District US EPA PAMS Sites PAMS (Photochemical Assessment Monitoring Station) SLAMS (State & Local Air Monitoring Stations) 11 PAMS/SLAMS Monitors in 2001 (CO, NO2, O3, SO2, PB, PM10) Source: Gregory McRae, MIT California Air Resources Board

How Chemical Engineering Simulations Coupled to SensorNets Could be Used in Teaching Chemistry Geography Meteorology Emissions Graphics Public Policy Source: Gregory McRae, MIT

Gaseous Sensor Application Using Nanostructured Porus Si Photonic Crystals Desired Properties: –Low False Alarm Rate, Sensitive –Miniature, Robust, Portable, Low Cost Handheld Nanosensor Device for Sarin Nerve Agent Developed for DARPA Mike Sailor, et al, UCSD Chemistry

Chemistry Wireless SensorNet ProjectSMER Jamie Link, Cal(IT) 2 Ph.D. Fellow With Handheld Wireless VOC Sensor and Laptop Base Station CORAX (Continuous Observation & Remote Sensing AUAV eXperiment) California Space Institute UCSD UAV Platform Source: Mike Sailor, et al, UCSD Chemistry, Cal-(IT) 2

Shrinking Flying Wireless Sensor Platforms: From Predator to Biomimetic Robots General Atomics Predator (Air Force, CIA) 300 Inches UC Berkeley Aerobot (ARO, DARPA, ONR) 20 Inches UC Berkeley Micromechanical Flying Insect Project 1 Inch (DARPA, ONR)

Over the Next Decade Nano-Info-Chemical Engineering Will Revolutionize SensorNets 5 nanometers Human Rhinovirus IBM Quantum Corral Iron Atoms on Copper VCSELaser 2 mm Nanogen MicroArray 500x Magnification 400x Magnification