Distributed Cyberinfrastructure Supporting
the Chemical Sciences and Engineering
Challenges for the Chemical Sciences
in the 21st 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
California Institute for Bioengineering,
Biotechnology,
and Quantitative Biomedical Research
UCD
UCSF
Center for
Information Technology Research
in the Interest of Society
UCM
UCB
California
NanoSystems Institute
UCSC
UCSB
UCLA
UCI
California Institute for
Telecommunications and
Information Technology
UCSD
www.ucop.edu/california-institutes
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
www.people.virginia.edu/~rjh9u/cell1.html
•
Is a Virtual Cell Possible?
Non-Traditional Chemical Engineering
Challenge II—Star Formation Regions
The First Stars Born Kill the Later Ones
Eagle Nebula
M16
One
Light
Year
J. Hester, P. Scowen,
NASA Hubble ST
NIH is Creating a Federated Repository
Biomedical Informatics Research Network
NIH Plans to Expand
BIRN to Other Organs
and Many Laboratories
Part of the UCSD CRBS
National Partnership for Advanced Computational Infrastructure
Center for Research on Biological Structure
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
ALMA
LHC
Sloan Digital Sky Survey
ATLAS
Why the Grid is the Future—
Eliminating Bandwidth as a Barrier to Science
Scientific American, January 2001
Parallelism Has Come
to Optical Networking
(WDM)
c* f
“Lambdas”
Source: Steve Wallach, Chiaro Networks
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!
Coupling Computing, Data, Visualization by a
Central Campus WDM Optical Switch
Chemistry,
Engineering, Arts
Oracle DB
Server
Medical Imaging
and Microscopy
switch
switch
switch
• Cluster – Disk
• Disk – Disk
DWDM
Switch
• Viz – Disk
• DB – Cluster
switch
switch
San Diego
Supercomputer Center
• Cluster – Cluster
Scripps Institution of
Oceanography
The OptIPuter Project
Creating Metro, Regional, State, National, and
Planetary Optical Networking Laboratories
Asia
Pacific
Vancouver
Seattle
Portland
CA*net4
Pacific
Light
Rail
Chicago
UIC
NU
San Francisco
Asia
Pacific
SURFnet
CERN
PSC
NYC
NCSA
USC
Los Angeles UCI
UCSD, SDSU
San Diego
(SDSC)
Atlanta
AMPATH
Source: Tom DeFanti and Maxine Brown, UIC
From Telephone Conference Calls to
Access Grid International Video Meetings
Creating a Virtual Global Research Lab
Access Grid Lead-Argonne
NSF STARTAP Lead-UIC’s Elec. Vis. Lab
Providing a 21st Century
Internet Grid Infrastructure
Wireless Sensor Nets, Personal Communicators
Routers
Tightly Coupled Optically-Connected LambdaGrid Core
Routers
Loosely Coupled Peer-to-Peer Computing & Storage
Source: Phil Papadopolous, SDSC/Cal-(IT)2 &
Greg Hidley, Cal-(IT)2
Transitioning to the
“Always-On” Mobile Internet
Subscribers (millions)
2,000
1,800
1,600
1,400
1,200
1,000
Mobile Internet
800
600
400
Fixed Internet
200
0
1999
2000
2001
2002
Source: Ericsson
2003
2004
2005
Using Students to Invent the Future
of 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
UC Irvine
UC San Diego
Cal-(IT)2 Team: Bill Griswold, Gabriele Wienhausen, UCSD; Rajesh Gupta, UCI
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
R/V Revelle
in Lyttleton, NZ
Santa Margarita
Ecological Reserve
http://roadnet.ucsd.edu/
Santa Margarita Ecological Reserve
Water Chemistry Quality Stations
Source, Dan Cayan, UCSD SIO
Goal for This Decade
Put Chemical Laboratories on a Chip
Cermet Sensor
$ 300,000
$ 10
Source: ANL and Greg McRae, MIT
Potential for Dramatic Increase
in Spatial Coverage of Chemical Sensors
US EPA PAMS Sites
PAMS (Photochemical
Assessment Monitoring Station)
SLAMS (State & Local
Air Monitoring Stations)
Schools in Los Angeles
Unified School District
11 PAMS/SLAMS
Monitors in 2001
(CO, NO2, O3, SO2, PB, PM10)
California Air Resources Board
Source: Gregory McRae, MIT
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 Project
CORAX (Continuous Observation &
Remote Sensing AUAV eXperiment)
California Space Institute
UCSD
SMER
UAV Platform
Jamie Link, Cal(IT)2 Ph.D. Fellow With
Handheld Wireless VOC Sensor and
Laptop Base Station
Source: Mike Sailor, et al, UCSD Chemistry, Cal-(IT)2
Shrinking Flying Wireless Sensor Platforms:
From Predator to Biomimetic Robots
1 Inch
300 Inches
UC Berkeley
Micromechanical
Flying Insect Project
General Atomics Predator
(Air Force, CIA)
20 Inches
UC Berkeley Aerobot
(ARO, DARPA, ONR)
(DARPA, ONR)
Over the Next Decade Nano-Info-Chemical Engineering
Will Revolutionize SensorNets
500x
Magnification
Nanogen MicroArray
2 mm
VCSELaser
400x
Magnification
IBM Quantum Corral
Iron Atoms on Copper
Human Rhinovirus
5 nanometers