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Defining the Interface between Nanoscience and Geology

Third Annual NNIN/CNF Fall Workshop

Cornell University, Ithaca, NY

November 12-13th, 2007



Thanks to all the speakers and participants for making

the 2007 CNF Fall Workshop a success! 

Presentations and Tutorials are now available for download!

See schedule below for details.


While nanoscale research and geology at first glance deal with vastly different time and length scales, several areas exist where nanoscale research has profound impact on geologic questions.  Density functional approaches provide crucial tools for predicting high pressure crystals beneath the Earth's crust.  Fluid transport through porous rock can benefit from tools used in microfluidics.  While biomineralization creates macroscale structures like shells and coral, the nanoscale process that proteins use to create large inorganic structures is an active area of research.



This workshop will highlight issues at the interface between nanoscience and geology.  It will also demonstrate nanoscale computational tools that can propel the next generation of geology researchers.  The morning sessions will consist of lectures from leaders in the field who will discuss current issues and approaches available.  Afternoon sessions will provide hands-on sessions where participants will get to work directly with these codes.  In some cases, participants will learn directly from the code's creator.  Graduate students and young researchers with theory or experimental backgrounds are strongly encouraged to attend.  More seasoned members of the field are also encouraged to come and share their knowledge.



The registration deadline for the workshop has been extended to November 5th, 2007.  The registration website is now available.  Some financial assistance will be available for graduate students and post-doctoral researchers.  Seating is limited so please register early.  Please contact Derek Stewart (stewart@cnf.cornell.edu) with questions.


Workshop Schedule, Presentations, and Tutorials:


Day 1: November 12th, 2007

(Morning Sessions: ILR Conference Center Room 423)

8:00-8:30    Registration- Welcoming Remarks (Coffee and Bagels)

8:30-9:00    Current Computational Needs in Geology (Jason Phipps-Morgan, Cornell)

9:00-10:00  Predicting high pressure crystal structures in the Earth's interior with density functional theory (Richard Hennig, Cornell) [Slides]

10:15-11:30 Molecular dynamics approaches for biomineralization (John Harding, University of Sheffield) [Slides]

11:30-12:00 An experimental perspective on biomineralization (Lara Estroff, Cornell) [Slides]


12:00-1:00  Lunch (ILR Conference Center 2nd Floor Lobby)

1:15    Cornell Chimes Concert - McGraw Tower (dress warm!)


(Afternoon Sessions: ILR Conference Center Room 525 - please note room change!)

1:30-2:00 The need for nanoscale devices to monitor pressure in diamond anvil experiments (William Bassett, Cornell)

2:15-3:30 Hands-on Session: An introduction to the DL-POLY Molecular Dynamics code (John Harding, University of Sheffield & Dr. William Smith, Daresbury Laboratory, UK) [Slides]  [Online Tutorial]

3:45-5:00 Hands-on Session: Using Quantum Espresso to predict high pressure crystal structures (Richard Hennig, Cornell) [Slides]


5:30-7:00 Evening Reception and Panel Discussion at the Museum of the Earth: "The current state of nanoscale geology and what big questions remain


Day 2: November 13th, 2007

(Morning Sessions: ILR Conference Center Room 525)

9:00-10:00    Density functional perturbation theory and links to acoustics and seismology (Derek Stewart, Cornell) [Slides]

10:00-11:00  Water-mineral interactions on the nanoscale (Andrey Kalinichev, Michigan State University) [Slides]

11:00-12:00 Visualization for Geology: A Tour of the CAVE Immersive Visualization Environment at the Center for Advanced Computing 

12:00-1:00  Lunch (ILR Conference Center 2nd Floor Lobby)


(Afternoon Sessions: ILR Conference Center Room 525)

1:30-3:00 Hands-on Session: Modeling fluid interactions in porous minerals (Andrey Kalinichev, Michigan State University) [Slides]

3:15-4:30 Hands-on Session: Calculating phonon dispersions with the density functional package, Quantum Espresso (Derek Stewart, Cornell)

4:30-5:00 Future Connections between Nanoscience and Geology: Concluding Remarks


Housing, Maps, and Directions:

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


For questions, please contact the Workshop Coordinator: Derek Stewart (stewart@cnf.cornell.edu


Cornell Sunset photograph by Zach Schildhorn 

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