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Tags: materials science

All Categories (1-20 of 524)

  1. OnlineSimulation tutorial and assignment: bonding curves in H2 and He2 molecules

    21 Feb 2015 | Teaching Materials | Contributor(s): Alejandro Strachan

    In this tutorial students will use density functional theory (DFT) calculations using the nanoHUB tool SeqQuest to study bonding in two simple molecules: H2 and He2. The tutorial shows how to...

    https://nanohub.org/resources/21952

  2. OnlineSimulation tutorial and assignment: electronic structure and spin in O2 molecule

    21 Feb 2015 | Teaching Materials | Contributor(s): Alejandro Strachan

    In this tutorial students will use density functional theory (DFT) calculations using the nanoHUB tool SeqQuest to study the electronic structure and bonding in the O2 molecular. The...

    https://nanohub.org/resources/21954

  3. OnlineSimulation tutorial and assignment: electronic structure and spin of the O atom

    21 Feb 2015 | Teaching Materials | Contributor(s): Alejandro Strachan

    In this tutorial students will use density functional theory (DFT) calculations using the nanoHUB tool SeqQuest to study the electronic structure of the oxygen atom. The tutorial shows...

    https://nanohub.org/resources/21956

  4. Gustavo Medeiros Azevedo

    https://nanohub.org/members/117712

  5. Franck-Condon Overlap Integrals

    29 May 2014 | Downloads | Contributor(s): Bryan M. Wong

    Franck-Condon Overlap Integrals: calculates the vibrational overlap integral between two nuclear wavefunctions using the formalism developed by Sharp and Rosenstock [J. Chem. Phys., 41, 3453 (1964)].

    https://nanohub.org/resources/21030

  6. IMA 2013 UQ: Bayesian Calibration of Molecular Dynamics Simulations for Composite Materials Properties

    28 May 2014 | Online Presentations | Contributor(s): Paul N. Patrone

    In this talk, I discuss ongoing research whose goal is to determine, via Bayesian inference, an ensemble of inputs that represents a class of commercially important amine-cured epoxies. We...

    https://nanohub.org/resources/20312

  7. Is nanotechnology more Materials Science or Physics oriented?

    Closed | Responses: 1

    I want to pursue nanotechnology as a field of higher study. Would I be better off going for a Physics degree, or a Materials Science degree? As a bachelor’s student, are there any...

    https://nanohub.org/answers/question/1319

  8. Marco Marín Suárez

    https://nanohub.org/members/98339

  9. NanoPlasticity Lab

    02 Aug 2013 | Tools | Contributor(s): Martin Hunt, Lei Cao, Alejandro Strachan, Marisol Koslowski

    A phase field approach to plastic deformation in nano crystalline materials

    https://nanohub.org/resources/nanoplasticity

  10. Resources for Materials Science and Engineering

    Ab initio electronic structure simulation tools ABINIT :ABINIT is a package whose main program allows to find the total energy, charge density and electronic structure of systems made...

    https://nanohub.org/wiki/MaterialScienceSimulationTools

  11. A Python code for material composition lines - composition line utility

    11 Sep 2013 | Downloads | Contributor(s): Amritanshu Palaria

    In material science and chemical thermodynamics, phase diagrams play an important role. In composition-phase diagrams, compositions of the various components constitute, depending on how the...

    https://nanohub.org/resources/19375

  12. Yongjie Zou

    https://nanohub.org/members/86382

  13. Behzad Khezri

    https://nanohub.org/members/85918

  14. [Illinois] American Vacuum Society (AVS) Prairie Chapter Symposium 2012

    04 Jun 2013 | Workshops | Contributor(s): NanoBio Node

    The focus for the 2012 AVS Prairie Chapter meeting is Materials for Energy.

    https://nanohub.org/resources/18257

  15. Buckypaper

    17 Apr 2013 | Presentation Materials | Contributor(s): shaheen goel

    the presentation gives a basic idea about the buckypaper and give breif details about the synthesis properties and applications of buckypaper

    https://nanohub.org/resources/17607

  16. Jimmy Mangalam

    https://nanohub.org/members/77017

  17. MSE 597GM Lecture 25: Transport in Rechargeable Batteries V

    05 Dec 2012 | Online Presentations | Contributor(s): R. Edwin García

    https://nanohub.org/resources/16061

  18. MSE 597GM Lecture 24: Transport in Rechargeable Batteries IV

    05 Dec 2012 | Online Presentations | Contributor(s): R. Edwin García

    https://nanohub.org/resources/16060

  19. MSE 597GM Lecture 23: Transport in Rechargeable Batteries III

    04 Dec 2012 | Online Presentations | Contributor(s): R. Edwin García

    https://nanohub.org/resources/15920

  20. MSE 597GM Project Feedback

    28 Nov 2012 | Online Presentations | Contributor(s): R. Edwin García

    https://nanohub.org/resources/15922

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