Building a Collaborative Framework for Nanoscale Simulations
2010 Joint NNIN/C & NCN Fall Workshop
November 14-16, 2010
Cornell University, Ithaca, NY
An International Roadmap for Collaboration in Nanoscale Simulations
Nanoscience relies on intensive atomistic simulations that generate copious amounts of data. Since various ab-initio and empirical approaches exist in the field, there is a growing need to develop a common collaborative framework to provide meaningful comparisons between calculations and to also provide a set of robust technical components and results to help the next generation of researchers.
This workshop brings
together leading figures in the fields of materials and nanoscale
simulation to help develop a set of lingua franca formats and libraries
for easy translation of input and output files between codes. We will
address the creation of international cyberinfrastructure resources that
deliver trusted components for atomistic calculations such as empirical
potentials, pseudopotentials, basis sets, and atomic coordinates. Science rests on the concept of reproducibility and we will address the
issue of linking calculation files and results directly with
The Current Workshop Schedule is Now Available! - Access Workshop Schedule
Trusted Components for Calculations
Registration is now closed!
The registration deadline is November 3rd, 2010. Seating is limited to 40 participants, so please register early. Sunday, November 14th, will focus on tutorials on several different simulation approaches (Abinit, Atomic Simulation Environment, etc).
Please contact Derek Stewart (email@example.com) with any questions.
Modeling through the NNIN and NCN:
The NNIN and NCN are committed to providing computational modeling tools that help
researchers explore the nanoscale regime. This workshop is part of a
greater effort to provide advanced users capabilities (computational
clusters, modeling packages, custom code development) that help
accelerate innovation in nanoscale research. If you would like to learn
more about the computational branch of the NNIN network and how to
become an user, please visit the NNIN/C website. If you are interested in an overview of the capabilities available at the CNF, please look here. Info on the NCN effort is available on their nanoHUB website.
For questions, please contact the Workshop Coordinator: Derek Stewart (firstname.lastname@example.org)
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This material is based upon work supported by the National Science Foundation under Grant No. ECS-0335765. Any opinions, findings, conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.
Cornell NanoScale Science & Technology Facility (CNF)
250 Duffield Hall, Cornell University, Ithaca, New York 14853-2700
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