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Tags: wavefunction

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Online Presentations

  • 0.0 Ranking Lee: Introduction to Quantum Dot Lab

    Introduction to Quantum Dot Lab

    Type Online Presentations
    Contributor(s) Sunhee Lee, Hoon Ryu, Gerhard Klimeck
    Date 31 Mar. 2008
    Avg. Rating 0.0 out of 5 stars  (0)
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    The nanoHUB tool "Quantum Dot Lab" allows users to compute the quantum mechanical "particle in a box" problem for a variety of different confinement shapes, such as boxes, ellipsoids, disks, and pyramids. Users can explore the energy spectrum and orbital shapes of new quantized ...

Learning Modules

  • 10.0 Ranking Fodor: Introduction to Quantum Dot Lab

    Introduction to Quantum Dot Lab

    Type Learning Modules
    Contributor(s) James K Fodor, Jing Guo
    Date 02 Jul. 2007
    Avg. Rating 0.0 out of 5 stars  (0)
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    This learning module introduces nanoHUB users to the Quantum Dot Lab simulator. A brief introduction to Quantum Dot Lab is presented, followed by voiced presentations featuring the simulator in action. Upon completion of this module, users should be able to use this simulator to gain valuable ...

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 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 ...

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

    Computational Nanoscience, Lecture 16: More and Less than Hartree-Fock

    Type Teaching Materials
    Contributor(s) Jeffrey Grossman, Elif Ertekin
    Date 05 May. 2008
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    In the lecture we discuss both techniques for going "beyond" Hartree-Fock in order to include correlation energy as well as techniques for capturing electronic structure effects while not having to solve the full Hartree-Fock equations (ie, semi-empirical methods). We also very briefly touch upon ...

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

    Computational Nanoscience, Lecture 18.5: A Little More, and Lots of Repetition, on Solids

    Type Teaching Materials
    Contributor(s) Jeffrey Grossman, Elif Ertekin
    Date 05 May. 2008
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    Here we go over again some of the basics that one needs to know and understand in order to carry out electronic structure, atomic-scale calculations of solids.

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

    Computational Nanoscience, Lecture 19: Band Structure and Some In-Class Simulation: DFT for Solids

    Type Teaching Materials
    Contributor(s) Jeffrey Grossman, Elif Ertekin
    Date 05 May. 2008
    Avg. Rating 0.0 out of 5 stars  (0)
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    In this class we briefly review band structures and then spend most of our class on in-class simulations. Here we use the DFT for molecules and solids (Siesta) course toolkit. We cover a variety of solids, optimizing structures, testing k-point convergence, computing cohesive energies, and ...

Publications

  • 6.4 Ranking McLennan: Quantum Ballistic Transport in ...

    Quantum Ballistic Transport in Semiconductor Heterostructures

    Type Publications
    Contributor(s) Michael McLennan
    Date 27 Aug. 2007
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    The development of epitaxial growth techniques has sparked a growing interest in an entirely quantum mechanical description of carrier transport. Fabrication methods, such as molecular beam epitaxy (MBE), allow for growth of ultra-thin layers of differing material compositions. Structures can be ...

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