Tags: computational materials science

More tags

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.

All Categories (181-187 of 187)

  1. The Basics of Quantum Monte Carlo

    out of 5 stars 

    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

    out of 5 stars 

    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

    out of 5 stars 

    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

    out of 5 stars 

    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

    out of 5 stars 

    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