Support Options

Submit a Support Ticket


Tags: ab-initio DFT computations

All Categories (1-9 of 9)

  1. Kapil Adhikari


  3. Lan Li

  4. Tutorial 1: Atomistic Material Science - ab initio simulations of materials

    03 Nov 2011 | Online Presentations | Contributor(s): Alejandro Strachan

    This lecture introduces first principles electronic structure calculations of materials properties. It describes the approximations made to the many-body Schrodinger equation in Hartree Fock and...

  5. Wei Shen

  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...

  7. Sandra Kurko

  8. Dr. Ghous B Narejo

    PhD in Electrical Engineering from Michigan Tech University, USA in Dec 2010.

  9. Davide Ceresoli

    '''Working experience'''- Nov 2011 – current Researcher, CNR-ISTM, Milano, Italy- Jul 2010 – Sep 2011 Senior Research Fellow, MML, Oxford University- May 2008 – Jun 2010 Senior Research Fellow,..., 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.