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

2 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.

3 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)

4 Network for Computational Nanotechnology NCN State 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”

5 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)

6 silicon microelectronics Rusu et. al. “A Dual-Core Multi-Threaded Xeon® Processor with 16MB L3 Cache”, ISSCC, 2006 source drain SiO 2 silicon SGD channel ~ 40 nm gate oxide SiON ~ 1.1 nm microelectronics --> nanoelectronics

7 “bottom-up” nanoelectronics Samuelson group Lund, Sweden nanowirescarbon nanotubes bio-sensors flexible electronics

8 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

9 cyber-services for research, education, collaboration signature service: online simulation to connect simulation tool developers and users

10 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’s Daemon Content Database grid

11 nanoHUB tool page user statistics reviews and citations getting started how to cite launch!

12 cyber-enabled research Arvind Raman ME, Purdue

13 cyber-enabled education Gerhard Klimeck ECE, Purdue with Dragica Vasileska, ASU (nanoHUB.org)

14 more than simulation tutorials and seminars research seminars learning modules + online meetings, Q and A, reviews, SW development tools, statistics, etc.… online courses

15 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

16 usage

17 nanoHUB content 1)Simulation tools: 125 2)Online seminars and lectures:796 3)Online classes and tutorials: 26

18 impact >80,000 users/year

19 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

20 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

21 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

22 to learn more…. visit see a demo, view a lecture on the infrastructure, or visit one of seven different hubs.