Theories in Statistical Mechanics and Molecular Dynamics Simulations
| Lecture Number/Topic | Online Lecture | Video | Lecture Notes | Supplemental Material | Suggested Exercises |
|---|---|---|---|---|---|
| SMMDS Lecture 1: Introduction | View | video1570018525.mp4 |
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| Welcome to the theories in Statistical Mechanics and Molecular Dynamics Simulation! Have you been puzzled on what to learn after elementary statistical mechanics? Have you had questions on... |
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| SMMDS Lecture 2: Lagrangian Mechanics I | View | video1127478903.mp4 |
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| This lecture introduce a different formulism of classical mechanics: Lagrangian mechanics. Lagrangian mechanics provides a systematic way to generate time evolution equations for a many-body system. |
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| SMMDS Lecture 3: Lagrangian Mechanics II | View | video1370125845.mp4 |
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| This lecture continues the discussion on Lagrangian Mechanics, including discussion on generalized coordinates and some examples. |
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| SMMDS Lecture 4: Hamiltonian Mechanics | View | video1556331437.mp4 |
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| This lecture introduce a third formulism of classical mechanics: Hamiltonian Mechanics. Hamiltonian Mechanics provides a fundamental theory for molecular dynamics simulation. |
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| SMMDS Lectue 5: Potential Energy Function | View | video1952872727.mp4 |
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| This lecture introduce the potential energy function used in Lagrangian mechanics and Hamiltonian machanics. Specifically, the lecture introduce how to use quantum mechanics to generate a... |
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| Lecture 6: Molecular Dynamics Simulation: Common Force Field Forms | View | video1066221008.mp4 |
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| This lecture introduce a type of approximated potential energy function: force fields. A set of common function forms used for simulating molecular systems are discussed. |
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| Lecture 7: Molecular Dynamics Simulation: Calculating Non-bounded Interactions in Real Space | View | video1494245336.mp4 |
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| This lecture discusses details about how to calculate non-bounded interactions in real space. |
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| SMMDS Lecture 8: Molecular Dynamics Simulation - Coulomb Interaction and Ewald Summation | View HTML |
View | Notes (pdf) |
video1982083541.mp4 |
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| This lecture introduce the detailed methods of calculating Coulomb interactions and the Ewald summation method. |
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| SMMDS Lecture 9: Molecular Dynamics Simulation - Ewald Summation | View HTML |
View | Notes (pdf) |
video1926644798.mp4 |
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| This lecture introduce the detailed theoretical background and implementation of Ewald Summation/Particle Mesh Ewald Summation. |
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