Tags: first principles calculations

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  1. Peilin Liao

    Peilin Liao obtained her undergraduate degree in chemistry from Peking University, China, in 2006. She received her Ph.D. in chemistry from Princeton University in 2012. She served as postdoctoral...

    http://nanohub.org/members/151189

  2. ab initio Model for Mobility and Seebeck coefficient using Boltzmann Transport (aMoBT) equation

    11 Jun 2015 | Tools | Contributor(s): Alireza Faghaninia, Joel Ager (editor), Cynthia S Lo (editor)

    ab initio electronic transport model to calculate low-field electrical mobility and Seebeck coefficient of semiconductors in Boltzmann transport framework.

    http://nanohub.org/resources/amobt

  3. Nobuaki Nagao

    http://nanohub.org/members/111904

  4. André Schleife

    Ph.D.: 2010, Friedrich-Schiller-University, Jena, Germany;Postdoc: 2011-2013, Lawrence Livermore National Lab;since 2013, Blue Waters Assistant Professor, MatSE@UIUC

    http://nanohub.org/members/101180

  5. Nicolas Torres

    http://nanohub.org/members/68656

  6. Learning Module: Bonding and Band Structure in Silicon

    The main goal of this learning module is to help students learn about the correlation between atomic structure and electronic properties, and help them develop a more intuitive understanding of...

    http://nanohub.org/wiki/LearningModuleSiliconBandstructureDFT