Description

Resources (141-160 of 191)

1. Short Course on Molecular Dynamics Simulation

   Courses | 13 Oct 2009 | Contributor(s):: Ashlie Martini

   This set of ten presentations accompanied a graduate level course on Molecular Dynamics simulation. The specific objective of the course (and the presentations) is to provide: 1. Awareness of the opportunities and limitations of Molecular Dynamics as a tool for scientific and engineering...

2. MIT Tools for Energy Conversion and Storage

   Tools | 13 Sep 2009 | Contributor(s):: Jeffrey C Grossman, Joo-Hyoung Lee, Varadharajan Srinivasan, Alexander S McLeod, Lucas Wagner

   Atomic-Scale Simulation Tools to Explore Energy Conversion and Storage Materials

3. Energy and Nanoscience A More Perfect Union

   Online Presentations | 27 Mar 2009 | Contributor(s):: Mark Ratner

   Huge problems of energy and sustainability confront the science/engineering community, mankind, and our planet. The energy problem comes in many dimensions, including supply, demand, conservation, transportation, and storage. This overview will stress the nature of these problems, and offer a few...

4. Illinois Center for Cellular Mechanics: Discovery through the Computational Microscope

   Online Presentations | 09 Feb 2009 | Contributor(s):: Klaus Schulten

   Computational MicroscopeAll-atom molecular dynamics simulations have become increasingly popular as a toolto investigate protein function and dynamics. However, researchers are usuallyconcerned about the short time scales covered by simulations, the apparentimpossibility to model large and...

5. Illinois PHYS 466, Lecture 4: Molecular Dynamics

   Online Presentations | 05 Feb 2009 | Contributor(s):: David M. Ceperley

   Molecular Dynamics What to choose in an integrator The Verlet algorithm Boundary Conditions in Space and time Reading assignment: Frenkel and Smit Chapter 4 Content: Characteristics of simulations The Verlet Algorithm Higher Order Methods? Quote from Berendsen Long-term stability of Verlet...

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

   0.0 out of 5 stars 

   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...

7. Nanoparticle and Colloidal Simulations with Molecular Dynamics

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   Online Presentations | 05 Dec 2008 | Contributor(s):: Steve Plimpton

   Modeling nanoparticle or colloidal systems in a molecular dynamics (MD) code requires coarse-graining on several levels to achieve meaningful simulation times for study of rheological and other manufacturing properties. These include treating colloids as single particles, moving from explicit to...

8. MSE 597G Lecture 4: Interatomic potentials I

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   Online Presentations | 14 Nov 2008 | Contributor(s):: Alejandro Strachan

   Interatomic potentials: pairwise potentials.

9. MSE 597G Lecture 3: Statistical Mechanics II

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   Online Presentations | 14 Nov 2008 | Contributor(s):: Alejandro Strachan

   Basic physics: statistical mechanics, Algorithms: Integrating the equations of motion.

10. MSE 597G An Introduction to Molecular Dynamics

    4.5 out of 5 stars 

    Courses | 13 Nov 2008 | Contributor(s):: Alejandro Strachan

    The goal of this short course is to provide an introduction to the theory and algorithms behind MD simulations, describe some of the most exciting recent developments in the field and exemplify with a few applications applications. The series also includes a tutorial on the nanoMATERIALS...

11. Running MD on the nanoHUB: The nano-MATERIALS Simulation Toolkit

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    Online Presentations | 13 Nov 2008 | Contributor(s):: Alejandro Strachan

    A quick demostration of the nanoHUB tool: nano-Materials Simulation Toolkit.

12. MSE 597G Lecture 5: Interatomic potentials II

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    Online Presentations | 13 Nov 2008 | Contributor(s):: Alejandro Strachan

    Embedded atom model for metals,Three body terms for semiconductors: Stillinger-Weber,Electrostatics and Covalent interactions.

13. MSE 597G: An Introduction to Molecular Dynamics

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    Online Presentations | 13 Nov 2008 | Contributor(s):: Alejandro Strachan

14. MSE 597G Lecture 6: Interatomic potentials III

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    Online Presentations | 12 Nov 2008 | Contributor(s):: Alejandro Strachan

    Reactive force fields,Parameterization of interatomic potentials

15. MSE 597G Lecture 7: Advanced Techniques for Molecular Dynamics Simulations

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    Online Presentations | 12 Nov 2008 | Contributor(s):: Alejandro Strachan

    Thermostats and barostats,Linear methods for energy and force calculations,Coarse graining or mesodynamics,Validation and Verification.

16. MSE 597G Lecture 2: Statistical Mechanics I

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    Online Presentations | 11 Nov 2008 | Contributor(s):: Alejandro Strachan

    Basic physics: statistical mechanics.

17. MSE 597G Lecture 1: Classical Mechanics

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    Online Presentations | 11 Nov 2008 | Contributor(s):: Alejandro Strachan

    Basic physics: classical mechanics

18. Multiscale Methods to Simulate and Predict Membrane Organization: atomistic molecular dynamics to mean field Langevin dynamics

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    Online Presentations | 08 Aug 2008 | Contributor(s):: Larry H. Scott, Omar N Sobh

    There is considerable interest in the lateral organization of biological membranes. While membrane proteins obviously influence on the localized properties of membranes, the lipids themselves also can self-organize within the bilayer. Computational models can complement the growing body of...

19. Ionic Selectivity in Channels: complex biology created by the balance of simple physics

    3.5 out of 5 stars 

    Online Presentations | 05 Jun 2008 | Contributor(s):: Bob Eisenberg

    An important class of biological molecules—proteins called ionic channels—conduct ions (like Na+ , K+ , Ca2+ , and Cl− ) through a narrow tunnel of fixed charge (‘doping’). Ionic channels control the movement of electric charge and current across biological membranes...

20. BNC Annual Research Review: An Introduction to PRISM and MEMS Simulation

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    Online Presentations | 04 Jun 2008 | Contributor(s):: Jayathi Murthy

    This presentation is part of a collection of presentations describing the projects, people, and capabilities enhanced by research performed in the Birck Center, and a look at plans for the upcoming year.