1 Mark Lundstrom, Director Network for Computational Nanotechnology Discovery Park, Purdue University West Lafayette, IN Cyberinfrastructure for Discovery,

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Mark Lundstrom, DirectorNetwork for Computational Nanotechnology

Discovery Park, Purdue UniversityWest Lafayette, IN

Cyberinfrastructure for Discovery, Learning, and Engagement:

the nanoHUB experience

Association of Research Libraries and the Coalition for Networked Information

Washington, D.C., October 17, 2008

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objectives

in this talk, I would like to:

1) Tell you who we are, what we do, and why we needed cyberinfrastructure.

2) Describe nanoHUB.org - explain what is it is and how we are using it.

3) Identify a few challenges and opportunities.

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thanks

Michael McLennan (Chief Architect, HUBzero)

Gerhard Klimeck (Associate Director for Technology, NCN)

George Adams (Associate Director for Programs, NCN)

Gerry McCartney (CIO, Purdue University)

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Network for Computational Nanotechnology

NCN

NCN@UIUC

NCN@NU

NCN@UTEP

NCN@Norfolk State

NCN@Purdue

NCN@Berkeley

an ‘infrastructure and research network’

Mission:

connect those who develop simulations with those who use them in research

bridge disciplines

enable new modes of research, education, and collaboration

Key strategy:

“cyberinfrastructure”

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nanoscience and technology

1 meter(1 billion nm)

people

things

1 millimeter(1 million nm)

ants

dust

1 micrometer(1 thousand nm)

•

cells

1 nanometer

molecules

(e.g. DNA)

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silicon microelectronics

Rusu et. al. “A Dual-Core Multi-Threaded Xeon® Processor with 16MB L3 Cache”, ISSCC, 2006

source drainS

iO2

silicon

S G D

channel~ 40 nm

gate oxideSiON ~ 1.1 nm

microelectronics --> nanoelectronics

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“bottom-up” nanoelectronics

Samuelson group

Lund, Sweden

nanowires carbon nanotubes bio-sensors

flexible electronics

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computational science and engineering

Three reasons to simulate:

1) to explore uncharted territory

2) to resolve well-posed questions

3) to make good design choices

-Leo Kadanov, Computing in Science and Engineering, 2004

Three reasons to simulate:

1) to explore uncharted territory

2) to resolve well-posed questions

3) to make good design choices

-Leo Kadanov, Computing in Science and Engineering, 2004

Two kinds of results:

1) answers and understanding

2) software

-Brian Hayes, on “inquisitive computing” in American Scientist, 2008

Two kinds of results:

1) answers and understanding

2) software

-Brian Hayes, on “inquisitive computing” in American Scientist, 2008

Two types of scientists/engineers:

1) builders

2) analysts

Eugene Fergason, in Engineering and the Mind’s Eye, 1994

Two types of scientists/engineers:

1) builders

2) analysts

Eugene Fergason, in Engineering and the Mind’s Eye, 1994

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cyber-services for research, education, collaboration

www.nanoHUB.org

signature service:

online simulation to connect simulation tool developers and users

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CNTbands 2.0

simulation tool user

shared cyber-infrastructure

simulation tool developer

Rappture

=Simulation

Code

rappture.org and HUBzero.org

Physical Machine

Virtual Machine

rendering farm

Maxwell’sDaemon

ContentDatabase

grid

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nanoHUB tool page

user statistics

reviews and citations

getting started

how to cite

launch!

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cyber-enabled research

Arvind RamanME, Purdue

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cyber-enabled education

Gerhard KlimeckECE, Purdue

with Dragica Vasileska, ASU (nanoHUB.org)

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more than simulation

tutorials and seminars

research seminars

learning modules

+ online meetings, Q and A, reviews, SW development tools, statistics, etc.…

online courses

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Supriyo Datta

Supriyo Datta

Concepts in Quantum Transport

From Atom to Transistor

Fundamentals of Nanoelectronics

Electronics from the Bottom Up

…

15,511 nanoHUB users last year

‘datta’ is the most popular search term on the nanoHUB

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usage

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nanoHUB content

1) Simulation tools: 125

2) Online seminars and lectures: 796

3) Online classes and tutorials: 26

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impact

>80,000users/year

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HUBzero.org

• Linux/Apache/MySQL/PHP• LDAP authentication• Joomla Content Mgmt• Hub website components -tool development framework -web publishing systems -statistics collection / analysis -online meetings -topic pages -recommendation engine -Questions and Answers -incentive system -citations and DOO

• Maxwell’s Daemon• Rappture Toolkit

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outcomes

1) promote the diffusion of knowledge

2) give a researcher impact

3) provide a new avenue for “publication”

4) facilitate the use of simulation in the classroom

5) promote collaboration across disciplines

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issues and challenges

1) finding content in a growing collection

2) permanence of content

3) quality of content

4) handling data (in addition to simulation tools and educational / training resources)

5) intellectual property

6) financial model for sustainability

7) people issues

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to learn more….

visit www.HUBzero.org

see a demo, view a lecture on the infrastructure, or visit one of seven different hubs.