Teaching
Special Topics in Physics — Computational physics (PHYS-5411-WB)
| Description: | This course is intended for graduate and advanced undergraduate students seeking to learn about the key concepts and practical applications of atomic-scale simulations in condensed matter physics. We begin with simple empirical potential calculations, which provide insight into basics of the supercell approach, modeling of defects, relaxation of atomic positions, lattice and molecular dynamics. The core part of the course is devoted to fundamentals of the density functional
theory (DFT) and its application to studying physical properties of molecules and solids. More specifically, the course covers DFT calculations of cohesive and elastic properties, the phase diagram, properties of defects and surfaces. The course is structured such that lectures are complemented by practical sessions. The final mark comprises of performance measurements during lectures and practical sessions as well as assignments (no final or midterm examinations). |
| Prerequisites: | The course level is suitable for individuals from a variety of scientific backgrounds with no experience in atomic simulations. The course is well-suited for students who want to use atomic simulations in their work, but do not require extensive knowledge of theory and mathematical details. The material covered is largely self-contained, but an earlier exposure to quantum mechanics, solid state physics and programming is desirable. |
| Details: | Offered in the winter semester 2010/2011; 1 h lecture + 2 h tutorial weekly |
| Outline: | Course outline (PDF) |
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