MSE 597G An Introduction to Molecular Dynamics
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| Lecture Number/Topic | Online Lecture | Video | Lecture Notes | Supplemental Material | Suggested Exercises |
|---|---|---|---|---|---|
| MSE 597G: An Introduction to Molecular Dynamics | View Flash | View | Notes | ||
| MSE 597G Lecture 1: Classical Mechanics Basic physics: classical mechanics. |
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| MSE 597G Lecture 2: Statistical Mechanics I Basic physics: statistical mechanics. |
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| MSE 597G Lecture 3: Statistical Mechanics II Basic physics: statistical mechanics, Algorithms: Integrating the equations of motion. |
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| Running MD on the nanoHUB: The nano-MATERIALS Simulation Toolkit A quick demostration of the nanoHUB tool: nano-Materials Simulation Toolkit. |
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| MSE 597G Lecture 4: Interatomic potentials I Interatomic potentials: pairwise potentials. |
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| MSE 597G Lecture 5: Interatomic potentials II Embedded atom model for metals, Three body terms for semiconductors: Stillinger-Weber, Electrostatics and Covalent interactions. |
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| MSE 597G Lecture 6: Interatomic potentials III Reactive force fields, Parameterization of interatomic potentials |
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| MSE 597G Lecture 7: Advanced Techniques for Molecular Dynamics Simulations Thermostats and barostats, Linear methods for energy and force calculations, Coarse graining or mesodynamics, Validation and Verification. |
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