Tags: computational materials science

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Description

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.

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  1. The Basics of Quantum Monte Carlo

    4.5 out of 5 stars 

    Online Presentations | 15 Jun 2007 | Contributor(s):: Lucas Wagner, Jeffrey C Grossman, Jeffrey B. Neaton

    Quantum Monte Carlo is a highly accurate method to approximately solve the Schrodinger equation. I explain quantum Monte Carlo in a way that should be accessible to someone who is somewhat familiar with quantum mechanics. The discussion is mostly conceptual.Lucas Wagner is a postdoctoral...

  2. StrainBands

    5.0 out of 5 stars 

    Tools | 15 Jun 2007 | Contributor(s):: Joe Ringgenberg, Joydeep Bhattacharjee, Jeffrey B. Neaton, Jeffrey C Grossman, Eric Schwegler

    Explore the influence of strain on first-principles bandstructures of semiconductors.

  3. QWalk Quantum Monte Carlo Tutorial

    5.0 out of 5 stars 

    Tools | 15 Jun 2007 | Contributor(s):: Lucas Wagner, Jeffrey C Grossman, Jeffrey B. Neaton, Ian Michael Rousseau

    An accurate method to calculate the many body ground state of electrons

  4. Ganesh Krishna Hegde

    https://nanohub.org/members/20954

  5. Materials strength: does size matter? nanoMATERIALS simulation toolkit tutorial

    5.0 out of 5 stars 

    Online Presentations | 01 Feb 2007 | Contributor(s):: Alejandro Strachan

    Molecular dynamics (MD) is a powerful technique to characterize the fundamental, atomic-level processes that govern materials behavior and is playing an important role in our understanding of the new phenomena that arises in nanoscale and nanostructured materials and result in their unique...

  6. QC-Lab

    2.5 out of 5 stars 

    Tools | 14 Feb 2006 | Contributor(s):: Baudilio Tejerina

    Quantum Chemsitry Lab: Ab Initio and DFT molecular and electronic structure calculations of small molecules

  7. Jeffrey C Grossman

    Jeffrey C. Grossman is a Professor of computational materials science in the Department of Materials Science and Engineering at MIT. His research focuses on the application and development of...

    https://nanohub.org/members/9156

  8. ICMEd Summer School for Integrated Computational Materials Education

    Groups

    https://nanohub.org/groups/icmed

  9. Materials Science

    Groups

    https://nanohub.org/groups/materials

  10. Montana Tech Materials

    Groups

    https://nanohub.org/groups/mtm

  11. MSE 597I Introduction to Computational Materials; Fall 2011

    Groups

    This course is aimed at junior/senior undergraduate and graduate students interested on the numerical description of the equilibrium and kinetics of materials. The focus will be on systems that are...

    https://nanohub.org/groups/mse597introductiontocomputationalmaterials2011

  12. MSE 597I Introduction to Computational Materials; Spring 2014

    Groups

    This Spring 2014 course is aimed at junior/senior undergraduate and graduate students interested on the numerical description of the equilibrium and kinetics of materials. The focus will be on...

    https://nanohub.org/groups/computationalmaterials2014

  13. NCN Undergraduate Research Experience Group (2017)

    Groups

    This is a private group for the students, mentors and faculty participating in the NCN URE program, summer 2017.

    https://nanohub.org/groups/ncnure2017

  14. New Mexico State University

    Groups

    https://nanohub.org/groups/nmsu

  15. PRISMS Center

    Groups

    https://nanohub.org/groups/prisms

  16. The Molecular Sciences Software Institute

    Groups

    https://nanohub.org/groups/molssi

  17. Thermo-Calc Software Users Group

    Groups

    https://nanohub.org/groups/thermocalc