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Pre-course

Course Overview
Setup Instructions

Combinatorial Explosion

Introduction to Combinatorial Explosion
- Follow Along Exercise

Chemical Filters

Introduction to Chemical Filters
- Follow Along Exercise

Compositional Screening

Introduction to Compositional Screening
- Follow Along Exercise

Stoichiometry Screening

Introduction to Stoichiometry Screening
- Follow Along Exercise

Composition to Structure

Traditional Structure Prediction
- Follow Along Exercise
AI-Powered Structure Generation
- Follow Along Exercise

Advanced Methods

Thermodynamics
- Thermodynamics Theory
Machine Learning Force Fields
- MACE Tutorial
- MACE Theory
Density Functional Theory
- DFT Theory
- VASP Overview
Synthesisability

Index

By Ry Nduma at the Materials Design Group, Imperial College London

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