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Atomistic Simulation for Quantum and Molecular Photonics

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Assignment

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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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1. Introduction to the course

By Lucy Whalley

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