Welcome to Density Functional Theory and Practice

This course introduces the students to the theory and practice of calculations performed with Density Functional Theory (DFT). This is a powerful tool to calculate the structural and electronic properties of collections of atoms. The course emphasizes the practical aspects of the calculations and the theory will be only described as necessary to understand and perform correct calculations. The target audience of the course will be the student of Physics, Chemistry, Materials Science, Chemical or Mechanical Engineering that needs to learn to perform calculations based on DFT with a minimum of exposure to the theoretical details underlying this technique.

This course is part of our CoMET: Computational Materials Education and Training project at Penn State funded by the NSF-NRT program.

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