Mark LundstromBirck Nanotechnology Center

Network for Computational NanotechnologyDiscovery Park, Purdue University

West Lafayette, IN

From nanoHUB to HUBzeroto…?

HUBbub 2010, April 13, 2010

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nanoHUB.org

a major, international resource for nanotechnology

enabled by a unique technology platform for simulation, learning, and collaboration

1994

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thanks

Gerhard Klimeck (Director, NCN)

Michael McLennan (Chief Architect, HUBzero)

George Adams (Associate Director for Programs, NCN)

Gerry McCartney (CIO, Purdue University)

Rajinder Khosla, Lynn Preston, Mike Roco

Jim Bottum and Sebastien Goasguen, (Clemson), Krishna Madhavan (Purdue), José A.B. Fortes (U of Florida), Nirav Kapadia (Unisys)

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molecular beam epitaxy

http://www.mse.engin.umich.edu/research/facilities/132/photo http://lmn.web.psi.ch/shine/TEM.jpg

Nirav Kapadia, Purdue University

1991 - 2001

1994

AT&T grant

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online simulation with PUNCH

CNTbands

1994

AT&Tgrant

2002

NCN

>7M hits (1994 - 2002)

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“online simulation and more…”

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 nanoHUB

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on computing

“The purpose of computing is insight, not numbers.”

R.W. Hamming (in the introduction to his book, Introduction to Applied Numerical Analysis, 1971.

“In this book Hamming taught that tailoring a numerical method to fit a physical problem, rather than blindly using a generic “all-purpose” routine, could provide insight into the problem by underlining its peculiarities.”

http://en.wikipedia.org/wiki/Richard_Hamming

R.W. Hamming

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online simulation with Rappture

Rapid Application Infrastructure(rappture.org)

Maxwell’s Daemon middleware

Nanoviz visualization

CNTbands

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online simulation with nanoMOS

1494 users, 17,597 simulations, 90 citations

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the NEGF method

≈ 50 tutorials, courses, theses, papers, codes, etc.

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the diffusion of knowledge

Bell Labs Transistor Workshops (1950’s)

SEECR.B. Adler, et al., 1960-1967

Shockley (1939)

Shockley (1951)

transistor (1948)

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Alejandro Strachan: MD simulation

Prof. Alejandro StrachannanoMATERIALS Simulation Toolkit

1390 users, 9889 simulations

nanoMATERIALS SeqQuest DFT

+ courses, tutorials, seminars…

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Arvind Raman: Scanning Probe Microscopy

Arvind Raman

* J. Melcher, S. Hu, A. Raman, “VEDA – a web based virtual environment for dynamic Atomic Force Microscopy”, Invited article – Review of Scientific Instruments, June 2008..

• In addition to scientists and students worldwide, VEDA is being used by all major US AFM companies such as Veeco, Agilent, and Asylum for both training and research.

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Vlad Shalaev

13,462 viewers

V.M. ShalaevRobert and Anne Burnett Professor2010 Max Born Award

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Gerhard Klimeck: nanoelectronic devices

Gerhard KlimeckECE, PurdueDirector, NCNBandstructure Lab:

most popular tool on nanoHUB.org2942 users, 42,303 simulations, 27 citations

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nanoHUB.org

1994

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nanoHUB.org

facultyand

research students

• collaboration• dissemination• impact• visibility• …

user community

• content• useability• social networking• community• …

the future

PUNCH (1994)

NCN (2002)

NCN (2012)

lean infrastructurecritical infrastructure

• addressing the needs of faculty, groups, centers

• network of nanoHUBs?

• CI development?

• coordination?

• addressing the needs of the community

• high QoS

• professional content

• well supported

• expensive

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e-science

Distributed ComputingVIEWPOINT

Service-Oriented ScienceIan Foster

New information architectures enable new approaches to publishing andAccessing valuable data and programs… as services….. Thus, tools formerly accessible only to the specialist can be made available to all;…Such service-oriented approaches to science are already being applied successfully, in some cases at substantial scales….

6 MAY 2005 VOL 308 SCIENCE www.sciencemag.org

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shared research tools and services….

Birck Nanotechnology Center, Purdue University

Courtesy HDR Architecture, Inc./Steve Hall © Hedrich Blessing

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where is this heading?

Research: “The conduct of science and engineering is changing and evolving. This is due, in large part, to the expansion of networked cyberinfrastructure.”--NSF Strategic Plan 2006-2011

Education: “What we are seeing is the early emergence of a meta-university - a transcendent, accessible, empowering, dynamic, communally-constructed, framework of open materials and platforms on which much of higher education worldwide can be constructed or enhanced.”--Charles M. Vest, President Emeritus of MIT

HUBbub 2010

PUNCH (1994)

NCN (2002) nanoHUB