Tags: computational materials science

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Computational materials science is the application of computational methods alone or in conjunction with experimental techniques to discover new materials and investigate existing materials such as: metals, ceramics, composites, semiconductors, nanostructures, 2D materials, metamaterials, polymers, liquid crystals, surfactants, emulsions, polymer nanocomposites, nanocrystal superlattices and nanoparticles.

All Categories (61-80 of 197)

  1. DFT

    Teaching Materials | 17 Jan 2017

  2. DFT calculations with Quantum ESPRESSO

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

    DFT calculations of molecules and solids

  3. Dibya Prakash Rai

    https://nanohub.org/members/187116

  4. Dierk Raabe

    PROFESSIONAL SKETCHPROF. DIERK RAABEDepartment of Microstructure Physics and Alloy DesignMax-Planck-Institut fuer EisenforschungFax: ++49 –(0)211-6792-278E-mail: d.raabe@mpie.dewww.mpie.de- - - -...

    https://nanohub.org/members/58719

  5. Drew Fleming

    https://nanohub.org/members/133866

  6. Dynamics on the Nanoscale: Time-domain ab initio studies of quantum dots, carbon nanotubes and molecule-semiconductor interfaces

    0.0 out of 5 stars 

    Online Presentations | 31 Jan 2008 | Contributor(s):: Oleg Prezhdo

    Device miniaturization requires an understanding of the dynamical response of materials on the nanometer scale. A great deal of experimental and theoretical work has been devoted to characterizing the excitation, charge, spin, and vibrational dynamics in a variety of novel materials, including...

  7. ECE 595E Numerical Simulations for Energy Applications

    0.0 out of 5 stars 

    Courses | 17 Jan 2013 | Contributor(s):: Peter Bermel

  8. Ernesto Marinero

    https://nanohub.org/members/28203

  9. Excellence in Computer Simulation

    0.0 out of 5 stars 

    Workshops | 19 Dec 2007 | Contributor(s):: Mark Lundstrom, Jeffrey B. Neaton, Jeffrey C Grossman

    Computational science is frequently labeled as a third branch of science - equal in standing with theory and experiment, and computational engineering is now an essential component of technology development and manufacturing. The successes of computational science and engineering (CSE) over the...

  10. Jun 09 2023

    Exploring the Nano World: Building Nanoscale Structures with Polymer Modeler

    Exploring the Nano World: Building Nanoscale Structures with Polymer ModelerPresenter:Dr. Tongtong (Tanya) Shen, AppleDate and Time:June 9, 2023; 2:00 - 3:00 PM EDTRegister hereAbstract:The...

    https://nanohub.org/events/details/2263

  11. Exploring the Nano World: Building Nanoscale Structures with Polymer Modeler

    0.0 out of 5 stars 

    Online Presentations | 14 Jul 2023 | Contributor(s):: Tongtong Shen

    In this talk, I will showcase how atomic-level simulations can lead to a more fundamental understanding of PAN crystal structures and guide you through an interactive Polymer Modeler powered by nanoHUB.

  12. Fatih KUZAK

    https://nanohub.org/members/100218

  13. Francis Dakubo

    https://nanohub.org/members/278254

  14. Ganesh Krishna Hegde

    https://nanohub.org/members/20954

  15. Gas Adsorption Calculator

    0.0 out of 5 stars 

    Tools | 11 Jun 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz

    Simulates gas adsorption onto metal organic frameworks

  16. Gas Diffusion Coefficient in Metal Organic Frameworks

    5.0 out of 5 stars 

    Tools | 28 May 2019 | Contributor(s):: Julian Chinonso Umeh, Thomas A Manz

    Calculates gas self diffusion coefficient in metal organic frameworks

  17. getahun walelign Ayele

    https://nanohub.org/members/156582

  18. Gibbs Adsorption Simulator

    0.0 out of 5 stars 

    Tools | 10 Oct 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz

    Simulates the adsorption of gases using Gibbs ensemble

  19. Goranka Bilalbegovic

    https://nanohub.org/members/45672

  20. Jun 16 2019

    Hands-on workshop: Introduction to using nanoHUB’s free online computational materials simulations for undergraduate education

    A recent survey asked department chairs, faculty, and employers in the Materials Science field to rate the importance of incorporating Computational Materials Science and Engineering (CMSE) into...

    https://nanohub.org/events/details/1778