Support

Support Options

Submit a Support Ticket

 

Tags: DFT

All Categories (1-20 of 43)

  1. 2010 NCN@Purdue Summer School: Electronics from the Bottom Up

    18 Jan 2011 | Workshops

    Electronics from the Bottom Up seeks to bring a new perspective to electronic devices – one that is designed to help realize the opportunities that nanotechnology presents.

    https://nanohub.org/resources/8878

  2. Permission denied message when running single oxygen atom

    Closed | Responses: 0

    I'm attempting to run the single oxygen atom from HW 1.3 in the Atoms to Materials course.  There appears to be a file permission problem when copying a file.   

    I...

    https://nanohub.org/answers/question/1405

  3. Additional Tutorials on Selected Topics in Nanotechnology

    29 Mar 2011 | Workshops | Contributor(s): Gerhard Klimeck, Umesh V. Waghmare, Timothy S Fisher, N. S. Vidhyadhiraja

    Select tutorials in nanotechnology, a part of the 2010 NCN@Purdue Summer School: Electronics from the Bottom Up.

    https://nanohub.org/resources/11041

  4. Ali Nematollahi

    https://nanohub.org/members/54654

  5. anupam ghosh

    M.Sc. Physics (2007), 1 year experience in neuroscience (2008-09), 1.5 yrs experience in synthesis and characterization of Nickel nano-wires (2010-11), 1 year experience in simulation of...

    https://nanohub.org/members/81944

  6. Berkeley GW

    27 Sep 2009 | Tools | Contributor(s): Alexander S McLeod, Peter Doak, Sahar Sharifzadeh, Jeffrey B. Neaton

    This is an educational tool that illustrates the calculation of the electronic structure of materials using many-body perturbation theory within the GW approximation

    https://nanohub.org/resources/berkeleygw

  7. Christopher J O'Brien

    https://nanohub.org/members/68452

  8. Computational Investigation of Point Defect Formation and Migration in Nuclear Fuels

    08 Mar 2012 | Online Presentations | Contributor(s): Susan Sinnott

    The stabilities of selected fission products are investigated as a function of stoichiometry in uranium oxide. The approach is density functional theory (DFT) that is used to calculate the...

    https://nanohub.org/resources/13094

  9. Density Functional Theory: A great physics success story

    01 Mar 2012 | Online Presentations | Contributor(s): Kieron Burke

    Density functional theory began with the work of Thomas and Fermi, at about the same time as Schroedinger wrote his famous equation. I will explain in general terms what density functional...

    https://nanohub.org/resources/13253

  10. DFT calculations with Quantum ESPRESSO

    07 Jul 2010 | Tools | Contributor(s): Janam Jhaveri, Ravi Pramod Kumar Vedula, Alejandro Strachan, Benjamin P Haley

    DFT calculations of molecules and solids

    https://nanohub.org/resources/dftqe

  11. DFT on Wikipedia

    Collections | 16 Jul 2014 | Posted by Tanya Faltens

    https://nanohub.org/groups/icmed/collections/dft

  12. ECE 595E Lecture 24: Electronic Bandstructure Simulation Tools

    19 Mar 2013 | Online Presentations | Contributor(s): Peter Bermel

    Outline: Electronic bandstructure lab Basic Principles Input Interface Exemplary Outputs Density functional theory (DFT) DFT in Quantum ESPRESSO

    https://nanohub.org/resources/17307

  13. Goranka Bilalbegovic

    https://nanohub.org/members/45672

  14. 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...

    https://nanohub.org/resources/20311

  15. Jacek Piechota

    This story will be completed later on

    https://nanohub.org/members/69372

  16. Joshua Obodo

    https://nanohub.org/members/79273

  17. Joshua Wood

    https://nanohub.org/members/33112

  18. Katarina Danilo Batalovic

    https://nanohub.org/members/121037

  19. 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...

    https://nanohub.org/wiki/LearningModuleSiliconBandstructureDFT

  20. Life Beyond DFT

    Collections | 16 Jul 2014 | Posted by Tanya Faltens

    https://nanohub.org/groups/icmed/collections/dft

nanoHUB.org, a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.