nanoHUB.org - Tags: atomic simulation: resources
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Mon, 28 Jul 2014 00:54:45 -0400HUBzero - The open source platform for scientific and educational collaborationen-gbCopyright 2014 nanoHUB.orgTags[Illinois] PHYS466 2013: Atomic Scale Simulations
http://nanohub.org/resources/16703
http://nanohub.org/resources/16703
Application of Monte Carlo and Molecular Dynamics techniques in primarily classical simulations to understand and predict properties of microscopic systems in materials science, physics, biology, and chemistry. Numerical algorithms, connections between simulation...]]>6Wed, 06 Feb 2013 21:20:47 -0500[Illinois] CSE Seminar Series: Advances in First-principles Computational Materials Science
http://nanohub.org/resources/15919
http://nanohub.org/resources/15919Title: Advances in first-principles computational materials science Subtitle: Things we can calculate now, that we couldn't when I was in grad school. The capability to rationally design new materials with tailored properties and functionality on a computer remains a grand...]]>1Tue, 20 Nov 2012 19:58:28 -0500Mesoscopic Simulations of Nitromethane
http://nanohub.org/resources/12037
http://nanohub.org/resources/120371Thu, 22 Sep 2011 19:29:31 -0400Addressing Molecular Dynamics Time-scale Issues to Study Atomic-scale Friction
http://nanohub.org/resources/9856
http://nanohub.org/resources/9856Standard molecular dynamics simulation necessarily uses a very small time step, on the order of femtoseconds, to capture the dynamics of the modeled atoms. However, this limits the total duration of a simulation to tens of nanoseconds, a time span too short to observe many physical phenomena....]]>1Tue, 12 Oct 2010 16:18:32 -0400Atomistic Simulations of Reliability
http://nanohub.org/resources/9253
http://nanohub.org/resources/9253Discrete 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...]]>39Tue, 06 Jul 2010 18:42:03 -0400Illinois PHYS 466, Lecture 6: Scalar Properties and Static Correlations
http://nanohub.org/resources/6411
http://nanohub.org/resources/6411Scalar Properties, Static Correlations and Order Parameters
What do we get out of a simulation?
Static properties: pressure, specific heat, etc.
1Tue, 03 Mar 2009 19:27:51 -0500Illinois PHYS 466, Lecture 7: Dynamical Correlations & Transport Coefficients
http://nanohub.org/resources/6409
http://nanohub.org/resources/6409Dynamical correlations and transport coefficients
Dynamics is why we do molecular dynamics!
Perturbation theory
Linear-response theory
Diffusion constants, velocity-velocity...]]>
1Mon, 02 Mar 2009 20:42:37 -0500Illinois MatSE485/Phys466/CSE485 - Atomic-Scale Simulation
http://nanohub.org/resources/6164
http://nanohub.org/resources/6164THE 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...]]>6Wed, 28 Jan 2009 19:51:27 -0500Illinois PHYS 466, Lecture 1: Introduction
http://nanohub.org/resources/6182
http://nanohub.org/resources/6182Introduction to Simulation
Content:
Why do simulations?
Moore's law
Two Simulation Modes
Dirac, 1929
Challenges of Simulation: Physical and mathematical...]]>
1Wed, 28 Jan 2009 19:51:22 -0500