1. nanoHUB.org: An Example of Cyberinfrastructure for Simulation-Driven Science George B. Adams III, Mark Lundstrom, Gerhard Klimeck, and Michael McLennan Network for Computational Nanotechnology Purdue University March 27, 2009 CI Days @ UTPA

2. What is nanoHUB? Online simulation……and more! Live Demo>> PPT Demo>> Long PPT Demo>>

3. Free Account (just confirm your email address)

4. Interactive Visualization integrated seamlessly nanoVIS rendering server Developed by Wei Qiao, Insoo Woo, David S. Ebert PURPL Lab, Purdue University

5. Maxwell’s Daemon Physical Machine Virtual Machine System Architecture Content Database Rendering Farm cluster Violin simulation job 1011 0101 1001 nanoVIS

6. Rappture Toolkit Scientist Created by NCN in Nov 2004 Create standard desktop apps Works with your favorite programming language Open Source Online at http://rappture.org Rappture = Simulation Code

7. Over 135 tools online! Over 40 new 2008! 7 tools online! since December 2007 Bring tools online quickly

8. Who’s using nanoHUB.org? Over 90,000 users past 12 months Launched 394,000 simulations

9. Typical Web-based Simulations Started at Purdue 1995 with PUNCH: »Enabled researchers and students to access real simulation codes »traditionally 800 users annually. Typical usability is marginal Codes are typically out-of-synch with web version Typical Questions: What was my input? Did I enter things right? Symptoms of: No VISUAL feedback. Not interactive. The OLD static GUI Form sheet input Batch submission Output in some file Visualize a gif image Other output file Visualize gif image

10. 371 Users Last 12 months When SW Goes Interactive, Online Effect of channel positioning on the 1∕ f noise in silicon-on-insulator metal-oxide-semiconductor M von Haartman, M Oestling, Journal of Applied Physics, 2007 - link.aip.org... TCAD simulations using SCHRED [15] or ISE, …., were used to support our analysis and compute the inversion carrier profiles in the devices. Same behavior across all similar converted tools User’s don’t have to download/install software Rappture version Feb 06

11. 265 Citations

12. Published Where? Journals 119 Proceedings 104 Ph.D. thesis 8 Masters thesis 5 Books 1 89% Conferences 8 Magazines 5 TechReps 15 11%

13. 265 Citations Who? NCN 40% Others 60%

14. 265 Citations Who? With Whom? NCN 40% Others 60% common author

15. 265 Citations Cited for what? Research 21380% Res/Edu 93% Education 12 5% Cyberinfr 31 12%

16. Focus on Research 213 Citations Research21380% Res/Edu93% Education125% Cyberinfr3112%

17. Focus on Schred – 80 Citations Research 79 Cyberinfr1 ASU Schred Group – 9 papers Others – 71 papers, citing Schred Tool published by Vasileska Group at ASU

18. ASU Schred Group has citations from Florida UC Berkeley MIT TU Vienna Hong Kong Sweden Purdue Claremont TU Ilmenau URV Spain Bangalore

19. The nanoHUB has proven itself to be an extremely valuable tool for education and research. …We have used the Resonant Tunneling Diode simulator and the MSL simulator on the nanoHUB for homework exercises and mid-term exams. A class survey of the use of the nanoHUB simulation engines had shown that the experience is quite positive. The staff at the nanoHUB has been very responsive in supporting our class activities in a professional manner. H.-S. Philip Wong Professor of Electrical Engineering Stanford University Resonant Tunneling Diodes MSL simulator Use in Education

20. H.-S. Philip Wong Professor of Electrical Engineering Stanford University Resonant Tunneling Diodes MSL simulator New Contributor

21. Logged on 49 times Accessed 9 tools Ran 63 simulations Accessed 10 “and more” items Deji Akinwande Stanford University In Philip Wong’s Fall 2005 class

22. Using our strengths to reach minorities nanoHUB.org delivers research and education resources cheaply –No user travel required –Institution already has neecded Internet infrastructure –Incremental cost of access per user near zero nanoHUB.org collects data for assessment of quantity and quality of minority engagement

23. nanoHUB registered user demographics Gender%Number Do not wish to reveal5.8408 Female18.11270 Male76.15344 Disability Do not wish to reveal8.5594 Disability2.8194 No disability88.86234 Hispanic Ethnicity Do not wish to reveal17.61237 Hispanic6.6463 Non-Hispanic75.85322 April 2007 – March 2008, All 7022 registered users

24. nanoHUB registered user demographics Racial Background%Number US Citizens and Residents40.82876 Do not wish to reveal25.1723 American Indian/Alaska Native1.234 Asian20.8597 Black or African American3.8109 Native Hawaiian/Pacific Islander0.513 White50.41449 April 2007 – March 2008 Only registered users declaring US citizenship or Permanent Resident status. Users may check multiple racial backgrounds.

25. nanoHUB.org use at educational institutions* (cumulative) Institution CategoryTotal Institutions with simulation tool use Institutions using “and more” content #% Ave. sim. runs per user#% Web time per user HBCU90910%242528%15.22 h High Hispanic Enrollment 215136%194420%2.29 h MSI449194%206013%2.89 h All US.edu70732934%78118017%4.83 h * Membership in minority categories taken from US Dept. of Education lists

26. A A global following

27. Evolution of Scientific Computing Cyber Communities ecosystem, users support each other 1100110 1110100 1011100 portals 1100110 1110100 1011100 Science Gateways cyberinfrastructure, more users Scientific & HPC Computing few users with specialized knowledge

28. New Hubs Online Now IndianaCTSI.orgIndianaCTSI.org – Anantha Shekhar, IU School of Medicine, Connie Weaver at Purdue accelerating clinical and translational research in healthcare online since 10/1/2007 thermalHUB.orgthermalHUB.org – Tim Fisher, ME at Purdue heat transfer online since 12/6/2007 pharmaHUB.orgpharmaHUB.org – Rex Reklaitis, CE at Purdue pharmaceutical product development and manufacturing online since 12/11/2007 GlobalHUB.orgGlobalHUB.org – Dan Hirleman, ME at Purdue global engineering education online since 12/17/2007 nanohub.orgnanohub.org – Mark Lundstrom, ECE at Purdue the granddaddy of all hubs focused on nanotechnology online since 2002

29. HUBzero™ Roadmap and Future Directions

30. Building on Success HUBzero™ building communities for Discovery, Learning, and Engagement Delivery of value for users Delivery of value for contributors HUBzero™ communities leverage all HUBzero development Wiki from ThermalHUB.org Authentication from IndianaCTSI.org Members and groups from GlobalHUB.org

31. Future Directions HUBzero™ new features coming soon Member profiles Project groups – coordination, document sharing New capabilities planned for HUBzero™ Data Workflow

32. HUBzero™ Roadmap HUBzero™ Consortium Increase the number of universities developing the HUBzero platform Broaden the scope of ideas driving HUBzero development Open Source release of HUBzero™ v1.0 late 2009

33. Questions