Density Functional Theory

Instructors: Francesco Sottile +1 more

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What you'll learn

  •   Foundation (mathematical and historical) of DFT, approximation strategies.
  •   Quality and accuracy of different approximations, practical procedure to solve the equations.
  •   Ready to be operative and use DFT for your own research

    • Skills you'll gain

  •   Calculus
  •   Chemistry
  •   Mathematical Modeling
  •   Linear Algebra
  •   Semiconductors
  •   Physics
  •   Differential Equations
  •   Numerical Analysis

    • There are 3 modules in this course

    In this course, we introduce the most important concepts underlying DFT, its foundation, and basic ideas. We will in particular stress the features and reasons that lead DFT to become the dominant method for simulating quantum mechanical systems. The course is intended for students and researchers with knowledge of basic quantum mechanics. No experience in simulation or solid-state physics is required. We try to give a concise mathematical background when particular concepts are needed.

    From density to the Kohn-Sham world

    Approximations and strategies

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