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Tags: phonon

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  1. IMA 2013 UQ: DFT-based Thermal Properties: Three Levels of Error Management

    02 Apr 2014 | Online Presentations | Contributor(s): Kurt Lejaeghere

    It is often computationally expensive to predict finite-temperature properties of a crystal from density-functional theory (DFT). The temperature-dependent thermal expansion coefficient α, for...

    http://nanohub.org/resources/20311

  2. evanscent modes considered?

    Closed | Responses: 0

    Does the simulation also include evanescent modes? (the “device” section is finite, evanescent waves should be able to couple transmission modes in the leads, right?)

    http://nanohub.org/answers/question/1329

  3. Debanjan Basu

    http://nanohub.org/members/78136

  4. Heeyuen Koh

    http://nanohub.org/members/56621

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