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Modeling the Nanoscale World

NNIN/CNF Fall Workshop

Cornell University, Ithaca, NY

October 10-12th, 2005


In addition to providing an arena where experience users can excel, the CNF is committed to helping new users overcome the learning curve associated with these approaches so that they easily incorporate these tools in their research program.  To this end, the CNF hosted its first Fall Workshop, Modeling the Nanoscale World in October 2005 that focused on codes for nanomaterials, nanochemistry, and nanophotonics.  This three-day event consisted of morning lectures that addressed the underlying theory behind different modeling approaches, while afternoon hands-on sessions gave participants the change to try out codes, adapt input files, and in some cases, learn directly from code developers.  Participants arrived from seven different states, Canada, and Japan and brought a wide range of fields and backgrounds that helped fuel discussion. 


Workshop Overview

The nanoscale regime provides an important arena where scientific disciplines converge to study systems that can have tremondous fundamental and commercial impact. Computational approaches provide a crucial window into the nanoscale world. These codes help explain nanoscale phenomena and guide future studies. However, in order to succesfully use these computational techniques with experimental tools, researchers must learn about the principles and areas of application assocated with each code. The Cornell Nanoscale Science and Technology Facility (CNF) in conjunction with the National Nanotechnology Infrastructure Network (NNIN) is proud to host a workshop focused on the wide range of modeling tools that help us understand the nanoscale world. 


Workshop Flyer in PDF Format for download.


The workshop will provide morning lectures on the theory behind approaches followed by hands-on afternoon sessions on each code. In some cases, the participants will be able to learn directly from the code's creator. Sessions will focus on tools for nano-materials (multilayers, nanowires, etc), chemistry on the nanoscale (clusters, molecules, etc), and nanophotonics (FDTD approaches, photonic crystals). Graduate students and young researchers with theory or experimental backgrounds are encouraged to attend.


List of Speakers

  • Dr. Geoff Hutchinson (Cornell University) - Open Babel: File Translator for Computational Chemistry
  • Dr. Christina Manolatou (Cornell University) - Finite Difference Time Domain approaches for nanophotonics
  • Dr. David Roundy (Cornell University) - Plane wave approaches for nanoscale materials
  • Dr. Derek Stewart (Cornell University) - Muffin tins, Green's functions, and nanoscale transport
  • Dr. Michael Stopa (Harvard University) - Effective Mass Density Functional Theory for Quantum Dots and 2D electron gases
  • Dr. Mark Tuckerman (New York University) - First principles moleculary dynamics (Carr-Parrinello approaches and more)
  • Dr. Zhiyong Zhang (Stanford University) - NWChem - Modeling Chemistry on the Nanoscale


Workshop Schedule with slides from presentations!
Poster Session Abstracts



The registration deadline for the workshop is September 16, 2005. Seating is limited to 30-45 participants, so please register early.  Please go to the Workshop Registration page to complete the online registration.  Please contact the workshop coordinator: Dr. Derek Stewart: stewart@cnf.cornell.edu with registration questions.


Poster Session

All attendants are encouraged to present a poster at the workshop.  Abstracts for the poster session (400 words maximum excluding title and author's name and affiliations) should be submit in plain text to stewart@cnf.cornell.edu with the subject "CNF Fall Workshop".  Poster abstracts must be sent by September 9th, 2005. 



A list of Ithaca area hotels is available here in pdf format.  Please note that some of the hotels do provide shuttle service to Cornell and the Ithaca airport. 

Maps and Directions

Information on reaching Cornell University and the Cornell Nanoscale Facility can be found here.

Modeling through the CNF and NNIN

The CNF and NNIN are committed to providing computational modeling tools that help researchers explore the nanoscale regime.  This workshop is part of a greater effort to provide new user capabilities (computational clusters, modeling packages, custom code development) that help accelerate innovation in nanoscale modeling.  If you would like to learn more about the computational branch of the network and how to become an user, please visit the NNIN/C website.


Workshop Coordinator: Dr. Derek Stewart (stewart@cnf.cornell.edu)

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