distributed cyberinfrastructure supporting the chemical sciences and engineering challenges for the...
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Distributed Cyberinfrastructure Supporting the Chemical Sciences and Engineering
Challenges for the Chemical Sciences in the 21st Century
Workshop on Information & CommunicationsNational Academy of Sciences
Washington, DCOctober 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
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California Has Initiated Four New Institutes for Science and Innovation
UCSBUCLA
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
UCDUCM
www.ucop.edu/california-institutes
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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?
www.people.virginia.edu/~rjh9u/cell1.html
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Non-Traditional Chemical Engineering Challenge II—Star Formation Regions
Eagle NebulaM16
J. Hester, P. Scowen, NASA Hubble ST
One LightYear
The First Stars Born Kill the Later Ones
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NIH is Creating a Federated RepositoryBiomedical 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
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NSF’s EarthScopeRollout Over 14 Years Starting
With Existing Broadband Stations
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Distributed Data Grid Supporting International Particle Physics Experiments
Source: Harvey Newman, Caltech
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Similar Needs for Many Other e-Science Community Resources
ATLAS
Sloan Digital Sky Survey
LHC
ALMA
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Why the Grid is the Future—Eliminating Bandwidth as a Barrier to Science
Scientific American, January 2001
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fc *
(WDM)
Parallelism Has Come to Optical Networking
Source: Steve Wallach, Chiaro Networks
“Lambdas”
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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 AlgorithmsGoal:
Punch a Hole Through the Internet Between Researcher’s Lab and Remote Data!
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switch switch
switchswitch
• 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
DB
S
erver
switch
DWDMSwitch
Coupling Computing, Data, Visualization by aCentral Campus WDM Optical Switch
The OptIPuter Project
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Creating Metro, Regional, State, National, and Planetary Optical Networking Laboratories
Vancouver
Seattle
Portland
San Francisco
Los Angeles
San Diego(SDSC)
NCSA
SURFnet CERNCA*net4
AsiaPacific
AsiaPacific
AMPATH
PSC
Atlanta
CA*net4
Source: Tom DeFanti and Maxine Brown, UIC
NYC
TeraGrid DTFnet
CENIC
Pacific LightRail
Chicago
UICNU
USC
UCSD, SDSUUCI
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From Telephone Conference Calls to Access Grid International Video Meetings
Access Grid Lead-ArgonneNSF STARTAP Lead-UIC’s Elec. Vis. Lab
Creating a Virtual Global Research Lab
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Routers
Wireless Sensor Nets, Personal Communicators
Routers
Loosely Coupled Peer-to-Peer Computing & Storage
Providing a 21st Century Internet Grid Infrastructure
Tightly Coupled Optically-Connected LambdaGrid Core
Source: Phil Papadopolous, SDSC/Cal-(IT)2 & Greg Hidley, Cal-(IT)2
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Transitioning to the “Always-On” Mobile Internet
0
200
400
600
800
1,000
1,200
1,400
1,600
1,800
2,000
1999 2000 2001 2002 2003 2004 2005
Mobile Internet
Fixed Internet
Subscribers (millions)
Source: Ericsson
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Using Students to Invent the Futureof Widespread Use of Wireless Devices
• Year- Long “Living Laboratory” Experiment 2001-02– 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
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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
http://roadnet.ucsd.edu/
Santa Margarita Ecological Reserve
R/V Revelle in Lyttleton, NZ
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Santa Margarita Ecological Reserve Water Chemistry Quality Stations
Source, Dan Cayan, UCSD SIO
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Goal for This DecadeGoal for This DecadePut Chemical Laboratories on a ChipPut Chemical Laboratories on a Chip
Source: ANL and Greg McRae, MIT
$ 10
Cermet SensorCermet Sensor
$ 300,000
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Potential for Dramatic Increase in Spatial Coverage of Chemical Sensors
Schools in Los Angeles Unified School District
US EPA PAMS SitesPAMS (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
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How Chemical Engineering Simulations Coupled to SensorNets Could be Used in Teaching
• Chemistry
• Geography
• Meteorology
• Emissions
• Graphics
• Public Policy
Source: Gregory McRae, MIT
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Gaseous Sensor ApplicationUsing 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
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Chemistry Wireless SensorNet Project
SMERSMER
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 InstituteUCSD
UAV Platform
Source: Mike Sailor, et al, UCSD Chemistry, Cal-(IT)2
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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)
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Over the Next Decade Nano-Info-Chemical EngineeringWill Revolutionize SensorNets
5 nanometersHuman Rhinovirus
IBM Quantum CorralIron Atoms on Copper
VCSELaser
2 mm
Nanogen MicroArray
500x Magnification
400x Magnification