TEACHING
- Molecular Dynamics simulations, Fall 2011 (533633)
This course is a 10 ECTS credit points course on atomistic simulations. We will concentrate on molecular dynamics simulations (MD) which enable following the evolution of a system of point-like objects over time. During the course, students will write in a supervised manner their own MD code which can be used to model atomic motion in simple metals. The course will also cover genetic algorithm and conjugent gradient energy minimization as well as the nudged elastic band (NEB) method for migration energy barrier calculations. Quantum mechanical and classical atomic interaction models will be covered, main stress being on classical methods.
Lecturers: Dr. Jani Kotakoski and Dr. Olli Pakarinen
Exercise assistant: M.Sc. Eero Holmström
(2010-08-09 by Jani)
