Tags: MATSE

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  1. Illinois MatSE485/Phys466/CSE485 - Atomic-Scale Simulation

    27 Jan 2009 | | Contributor(s):: David M. Ceperley

    THE OBJECTIVE is to learn and apply fundamental techniques used in (primarily classical) simulations in order to help understand and predict properties of microscopic systems in materials science, physics, chemistry, and biology. THE EMPHASIS will be on connections between the simulation results...

  2. Illinois PHYS 466, Lecture 1: Introduction

    28 Jan 2009 | | Contributor(s):: David M. Ceperley

    Introduction to Simulation Content: Why do simulations? Moore's law Two Simulation Modes Dirac, 1929 Challenges of Simulation: Physical and mathematical underpinnings Complexity Estimation of Computer Time and Size Challenges of Simulation: Multi-scale computational materials research Short...

  3. Illinois PHYS 466, Lecture 6: Scalar Properties and Static Correlations

    27 Feb 2009 | | Contributor(s):: David M. Ceperley

    Scalar Properties, Static Correlations and Order ParametersWhat do we get out of a simulation? Static properties: pressure, specific heat, etc. Density Pair correlations in real space and Fourier space Order parameters and broken symmetry: How to tell a liquid from a solid Dynamical properties...

  4. Illinois PHYS 466, Lecture 7: Dynamical Correlations & Transport Coefficients

    27 Feb 2009 | | Contributor(s):: David M. Ceperley

    Dynamical correlations and transport coefficientsDynamics is why we do molecular dynamics! Perturbation theory Linear-response theory Diffusion constants, velocity-velocity auto correlation fct. Transport coefficients Diffusion: Particle flux Viscosity: Stress tensor Heat transport: energy...