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Tags: molecular simulations

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Online Presentations

  • 6.4 Ranking Go: Microscale Ionic Wind for Local ...

    Microscale Ionic Wind for Local Cooling Enhancement

    Type Online Presentations
    Contributor(s) David B Go
    Date 26 Oct. 2007
    Avg. Rating 0.0 out of 5 stars  (0)
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    As the electronics industry continues to develop small, highly functional, mobile devices, new methods of cooling are required to manage the thermal requirements of the not only the chip but the entire system. Comfortable skin temperatures, small form factors, and limited power ...

  • 6.0 Ranking Jakobsson: Computing the Horribleness of Soft ...

    Computing the Horribleness of Soft Condensed Matter

    Type Online Presentations
    Contributor(s) Eric Jakobsson
    Date 19 Oct. 2007
    Avg. Rating 5.0 out of 5 stars  (1)
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    A great triumph of computer simulations 40 years ago was to make the liquid state of matter understandable in terms of physical interactions between individual molecules. Prior to the first simulations of liquid argon and liquid water in the 1960's, there was no quantitatively rigorous ...

  • 5.9 Ranking Prezhdo: Dynamics on the Nanoscale: ...

    Dynamics on the Nanoscale: Time-domain ab initio studies of quantum dots, carbon nanotubes and molecule-semiconductor interfaces

    Type Online Presentations
    Contributor(s) Oleg Prezhdo, NCN SLC@Northwestern
    Date 01 Feb. 2008
    Avg. Rating 0.0 out of 5 stars  (0)
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    Device miniaturization requires an understanding of the dynamical response of materials on the nanometer scale. A great deal of experimental and theoretical work has been devoted to characterizing the excitation, charge, spin, and vibrational dynamics in a variety of novel materials, including ...

  • 5.2 Ranking Murthy: BNC Annual Research Review: An ...

    BNC Annual Research Review: An Introduction to PRISM and MEMS Simulation

    Type Online Presentations
    Contributor(s) Jayathi Murthy
    Date 04 Jun. 2008
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    This presentation is part of a collection of presentations describing the projects, people, and capabilities enhanced by research performed in the Birck Center, and a look at plans for the upcoming year.

Teaching Materials

  • 10.0 Ranking Grossman: Computational Nanoscience, Lecture ...

    Computational Nanoscience, Lecture 4: Geometry Optimization and Seeing What You're Doing

    Type Teaching Materials
    Contributor(s) Jeffrey C Grossman, Elif Ertekin
    Date 13 Feb. 2008
    Avg. Rating 5.0 out of 5 stars  (1)
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    In this lecture, we discuss various methods for finding the ground state structure of a given system by minimizing its energy. Derivative and non-derivative methods are discussed, as well as the importance of the starting guess and how to find or generate good initial structures. We also briefly ...

Publications

  • 4.5 Ranking Papke: Practical Introduction to the ...

    Practical Introduction to the BioMOCA Suite

    Type Publications
    Contributor(s) David Papke
    Date 23 Apr. 2008
    Avg. Rating 0.0 out of 5 stars  (0)
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    In this presentation, I describe how to use the online BioMOCA Suite. I explain how to prepare the .pqr input protein structure from a .pdb structure. I then explain in detail how to use each of the four subtools in the BioMOCA Suite. I do not cover in detail how the BioMOCA code works. If you ...

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