1. Short Course on Molecular Dynamics Simulation

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   13 Oct 2009 | Courses | 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. Lecture 1: Basic Concepts

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   05 Jan 2010 | Notes | Contributor(s): Ashlie Martini

   Topics: What is MD Newton’s law Basic concepts and terminology

3. Lecture 6: Neighbor Lists

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   05 Jan 2010 | Notes | Contributor(s): Ashlie Martini

   Topics: Saving simulation time Verlet lists Cell lists

4. Lecture 2: Potential Energy Functions

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   05 Jan 2010 | Notes | Contributor(s): Ashlie Martini

   Topics: Pair potentials Coulomb interactions Embedded atom model Intra-molecular interactions (bond, angle, torsion)

5. Lecture 4: Temperature Control

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   05 Jan 2010 | Notes | Contributor(s): Ashlie Martini

   Topics: Velocity scaling Heat bath/reservoir Stochastic methods

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