Synthesisability in Materials Design

Synthesisability in Materials Design#

This section is still a work in progress but will soon contain content exploring methods to assess and predict the synthesisability of computationally designed materials.

Learning Objectives#

After completing this section, you will be able to:

  1. Understand factors affecting material synthesis

  2. Apply data driven methods for synthesisability prediction

  3. Evaluate synthesis pathways

  4. Consider practical constraints in materials design

Topics that will be covered#

  1. Synthesisability Metrics

    • Thermodynamic Stability

    • Kinetic Stability

    • Structural Complexity

    • Chemical Accessibility

  2. Synthesis Planning

    • Reaction Pathways

    • Precursor Selection

    • Processing Conditions

    • Scale-up Considerations

  3. Machine Learning Approaches

    • Synthesis Prediction

    • Reaction Condition Optimization

    • Yield Prediction

    • Risk Assessment

Contents