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.

Courses (1-5 of 5)

  1. MSE 498: Computational Materials Science and Engineering

    Courses | 30 Mar 2015 | Contributor(s):: Andrew Ferguson

          This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g.,...

  2. ECE 595E Numerical Simulations for Energy Applications

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

  3. Atomic Picture of Plastic Deformation in Metals via Online Molecular Dynamics Simulations

    Courses | 01 Jun 2011 | Contributor(s):: Alejandro Strachan

    The main goal of this learning module is to introduce students to the atomic-level processes responsible for plastic deformation in crystalline metals and help them develop a more intuitive understanding of how materials work at molecular scales. The module consists of: i) Two introductory...

  4. Tutorial 3: Materials Simulation by First-Principles Density Functional Theory

    Courses | 14 Sep 2010 | Contributor(s):: Umesh V. Waghmare

    This two-part lecture will provide an introduction to first-principles density functional theory based methods for simulation of materials, with a focus on determination of interatomic force constants and vibrational spectra of nano- structures and extended periodic materials.

  5. Overview of Computational Nanoscience: a UC Berkeley Course

    5.0 out of 5 stars 

    Courses | 01 Feb 2008 | Contributor(s):: Jeffrey C Grossman, Elif Ertekin

    This course will provide students with the fundamentals of computational problem-solving techniques that are used to understand and predict properties of nanoscale systems. Emphasis will be placed on how to use simulations effectively, intelligently, and cohesively to predict properties that...