ME 697R Lecture 3.1: Molecular Dynamics - Introduction

By Xiulin Ruan

Mechanical Engineering, Purdue University, West Lafayette, IN

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Researchers should cite this work as follows:

  • Xiulin Ruan (2019), "ME 697R Lecture 3.1: Molecular Dynamics - Introduction," https://nanohub.org/resources/31121.

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2004 Mechanical Engineering, Purdue University, West Lafayette, IN

ME 697R Lecture 3.1: Molecular Dynamics - Introduction
  • Lecture 3.1: Introduction to Molecular Dynamics 1. Lecture 3.1: Introduction to M… 0
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  • A 2D Molecular Dynamics Demo 2. A 2D Molecular Dynamics Demo 39.172505839172508
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  • Trajectory of Solids 3. Trajectory of Solids 247.94794794794797
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  • Trajectory of Fluids and Molecules 4. Trajectory of Fluids and Molec… 423.82382382382383
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  • Goals of Molecular Dynamics 5. Goals of Molecular Dynamics 657.15715715715714
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  • Lattice Dynamics v.s. Molecular Dynamics 6. Lattice Dynamics v.s. Molecula… 944.944944944945
    00:00/00:00
  • Basic Algorithm 7. Basic Algorithm 1260.7273940607274
    00:00/00:00
  • Newtonian Mechanics 8. Newtonian Mechanics 1484.5845845845847
    00:00/00:00
  • Trajectory is Deterministic! 9. Trajectory is Deterministic! 1633.0997664330998
    00:00/00:00
  • Interatomic Potential Cutoff 10. Interatomic Potential Cutoff 1778.9122455789122
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  • Interatomic Potential Cutoff: Continued 11. Interatomic Potential Cutoff: … 2014.1808475141809
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  • Forces 12. Forces 2175.7757757757759
    00:00/00:00
  • Thermodynamic Ensembles 13. Thermodynamic Ensembles 2441.5415415415418
    00:00/00:00
  • Thermodynamic Ensembles 14. Thermodynamic Ensembles 2596.52986319653
    00:00/00:00
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