materialsinformatics/_toc.yml at master · ryannduma/materialsinformatics · GitHub

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format: jb-book
root: intro

parts:
  - caption: Pre-course
    chapters:
      - file: Pre-course/overview
        title: Course Overview
      - file: Pre-course/setup
        title: Setup Instructions

  - caption: Combinatorial Explosion
    chapters:
      - file: Combinatorial Explosion/combinatorial_explosion_intro
        title: Introduction to Combinatorial Explosion
        sections:
          - file: Combinatorial Explosion/follow along notebook
            title: Follow Along Exercise

  - caption: Chemical Filters
    chapters:
      - file: Chemical Filters/chemical_filters_intro
        title: Introduction to Chemical Filters
        sections:
          - file: Chemical Filters/follow along notebook
            title: Follow Along Exercise

  - caption: Compositional Screening
    chapters:
      - file: Compositional Screening/compositional_screening_intro
        title: Introduction to Compositional Screening
        sections:
          - file: Compositional Screening/follow along notebook
            title: Follow Along Exercise

  - caption: Stoichiometry Screening
    chapters:
      - file: Stoichiometry Screening/stoichiometry_screening_intro
        title: Introduction to Stoichiometry Screening
        sections:
          - file: Stoichiometry Screening/follow along notebook
            title: Follow Along Exercise

  - caption: Composition to Structure
    chapters:
      - file: Composition to Structure/Structure Prediction/structure_prediction_intro
        title: Traditional Structure Prediction
        sections:
          - file: Composition to Structure/Structure Prediction/follow along notebook
            title: Follow Along Exercise
      - file: Composition to Structure/CHEMELEON/chemeleon_intro
        title: AI-Powered Structure Generation
        sections:
          - file: Composition to Structure/CHEMELEON/follow along notebook
            title: Follow Along Exercise

  - caption: Advanced Methods
    chapters:
      - file: Advanced Methods/Thermodynamics/thermodynamics_intro
        title: Thermodynamics
        sections:
          - file: Advanced Methods/Thermodynamics/thermodynamics_theory
            title: Thermodynamics Theory
      - file: Advanced Methods/MLFF/mlff_intro
        title: Machine Learning Force Fields
        sections:
          - file: Advanced Methods/MLFF/mace_tutorial
            title: MACE Tutorial
          - file: Advanced Methods/MLFF/mace_theory
            title: MACE Theory
      - file: Advanced Methods/DFT/dft_intro
        title: Density Functional Theory
        sections:
          - file: Advanced Methods/DFT/dft_theory
            title: DFT Theory
          - file: Advanced Methods/DFT/vasp_overview
            title: VASP Overview
      - file: Advanced Methods/Synthesisability/synthesisability_intro
        title: Synthesisability