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About Lecture 3: Methods and Terminology, Part I
Classical molecular dynamics methods solve Newton's equations of motion to simulate molecular systems. Molecular dynamics force fields describe interatomic interactions using parameters fitted to quantum data. Periodic boundary conditions are used to model bulk systems by propagating atoms across simulation cell boundaries.
Detailed Information
| Author: | ['Rajkishore Das'] |
|---|---|
| Publication Year: | 2019 |
| Pages: | 15 |
| Language: | English |
| Format: | |
| Price: | FREE |
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