3D Materials Lab: Tutorials
  • 3D Materials Lab: Tutorials
  • ➡️Defects
    • Intro to Defect Calculations
    • Interpreting Defect and Energy Level Diagrams
  • ➡️Transport
    • Boltzmann Transport Theory and Thermoelectric Performance
  • ➡️Polarization
    • Introduction to Polarization Calculations
  • ➡️Dynamics in crystalline solids
    • First-principles Calculations of Atomic Diffusion in Crystalline Solids
    • Tutorial on Using Nudged Elastic Band (NEB) method
    • Calculating Polarization Switching Barrier using SS-NEB
  • ➡️Installing Pylada on HPC
    • Instructions
  • ALLOY MODELING
    • Create alloy models
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