nanoHUB.org: Cyberinfrastructure
for Research and Education
Michael McLennan
Software Architect
Network for Computational Nanotechnology
Purdue University
Cyberinfrastructure Summit: Innovation at Work
Banff, AB, October 11-12, 2007

What is nanoHUB?
Online simulation… …and more!

Demo
Demo >>

Over 50 tools online!
50 more in the pipeline

Web-enabling Tools
Vendor Scientist Web Developer

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

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

Rappture works by defining
the interface
XML interface description
<?xml version=\"1.0\"?>
<run>
<tool>
<title>Name of the tool</title>
<about>Description and credits</about>
<command>
@tool/path/to/executable @driver
</command>
<limits>
<cputime>900</cputime>
<filesize>1000000</filesize>
</limits>
</tool>
<input>
...
</input>
<output>
...
</output>
</run>
integer: n curve: E-k diagram
CNTbands
integer: m curve: DOS
model
choice: sim method molecule: structure
…
…

Inputs, Outputs, and Metadata
Complete record of every simulation run
<?xml version=\"1.0\"?>
<run>
<tool>
<title>CNTbands v2.0</title>
<command>@tool/cnbandswr @driver</command> Exact software
<version>
revision from
<application>
<revision>16</revision> Subversion
<modified>2007-05-24 10:58:42 EDT</modified>
<installed>2007-05-24 10:59:51 EDT</installed> More details
</application> about software
</version>
</tool>
installation
<input> </input> All inputs
<output> </output> All results
</run>

Who’s using this?
2.5 million hits last month
26,196 users last 12 months
226,899 simulation jobs last 12 months
51 of the Top 50 Engineering Schools
11.75% of all .edu domains

A
A global following
50% in US

A
A global following

Strong growth
Online simulation… …and more!
Interactive tools Added seminars,
tutorials, courses,
etc.

nanowire
Usage Statistics
Released May 19, 2006
656 Users
6,711 Simulations

Saumitra Mehrotra
Univ. of Cincinnati
In the past 10 months:
26 tools / 3,327 simulations
• 47 simulations: bandstructure lab
• 240 simulations: FETtoy
• 2,855 simulations: nanowire
• 8,242 nanowire CPU hours
• “and more” content
134 items, 52 hours
• 96 support tickets
69 entered manually,
27 filed automatically by application

IEEE Workshop on Microelectronics and
Electron Devices (WMED), April 20 2007

Google Scholar
finds 159 citations to nanoHUB

Case in point
Rappture version Feb 06
366 Users TCAD simulations using SCHRED [15] or
Last 12 months ISE, …., were used to support our analysis
and compute the inversion carrier profiles in
the devices.
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...
• Same behavior across all similar converted tools
• User’s don’t have to download/install software

A New Way of Publishing
Upload your own
• Presentations
• Tools
Support one another
• Questions & Answers
• Ratings and Feedback