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Atomistic Simulation for Quantum and Molecular Photonics
Module Details
Resources
Assignment
Tutorials
1. Introduction
2. Atomistic Simulation Basics
3. Working with Atoms
4. Building Point Defects
5. Potential Energy and EMT
6. Local Optimisation and DFT
7. Electronic Structure
8. Machine-Learned Interatomic Potentials
9. Molecular Dynamics
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