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Frederic Sansoz
https://nanohub.org/members/52609
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Addressing Molecular Dynamics Time-scale Issues to Study Atomic-scale Friction
Online Presentations | 12 Oct 2010 | Contributor(s):: Ashlie Martini
This presentation will include an introduction to several accelerated molecular dynamics methods. However, particular focus will be given to parallel replica (ParRep) dynamics in which atomistic simulations are run parallel in time to extend their total duration. The ParRep method is based on the...
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Atomistic Simulations of Reliability
Teaching Materials | 06 Jul 2010 | Contributor(s):: Dragica Vasileska
Discrete impurity effects in terms of their statistical variations in number and position in the inversion and depletion region of a MOSFET, as the gate length is aggressively scaled, have recently been researched as a major cause of reliability degradation observed in intra-die and die-to-die...
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Illinois PHYS 466, Lecture 6: Scalar Properties and Static Correlations
Online Presentations | 03 Mar 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...
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Illinois PHYS 466, Lecture 7: Dynamical Correlations & Transport Coefficients
Online Presentations | 02 Mar 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...
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Illinois MatSE485/Phys466/CSE485 - Atomic-Scale Simulation
Courses | 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...
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Illinois PHYS 466, Lecture 1: Introduction
Online Presentations | 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...
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Materials strength: does size matter? nanoMATERIALS simulation toolkit tutorial
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...
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Stanislav Markov
https://nanohub.org/members/11565
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Gerhard Klimeck
Gerhard Klimeck is the Elmore Chaired Professor of Electrical and Computer Engineering at Purdue University and leads two research centers in Purdue's Discovery Park. He is also Vice President for...
https://nanohub.org/members/3482