ME 697R Lecture 3.2: Molecular Dynamics - Integration Algorithms

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 3.2: Molecular Dynamics - Integration Algorithms," https://nanohub.org/resources/31122.

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2004 Mechanical Engineering, Purdue University, West Lafayette, IN

ME 697R Lecture 3.2: Molecular Dynamics - Integration Algorithms
  • Lecture 3.2: Integration Algorithms 1. Lecture 3.2: Integration Algor… 0
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  • Integration Algorithm 2. Integration Algorithm 22.689356022689356
    00:00/00:00
  • Algorithm for NVE 3. Algorithm for NVE 126.92692692692694
    00:00/00:00
  • Verlet Algorithm 4. Verlet Algorithm 217.21721721721724
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  • Implementation 5. Implementation 407.60760760760763
    00:00/00:00
  • Predictor-Corrector Algorithms 6. Predictor-Corrector Algorithms 568.601935268602
    00:00/00:00
  • Predictor-Corrector Algorithms 7. Predictor-Corrector Algorithms 659.05905905905911
    00:00/00:00
  • Time Step 8. Time Step 724.35769102435768
    00:00/00:00
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