Computer Modelling of Physical Processes (курсова робота)

Major: Applied Physics and Nanomaterials
Code of subject: 6.105.01.E.089
Credits: 2.00
Department: Applied Physics and Nanomaterials Science
Lecturer: professor Bryk Taras
Semester: 8 семестр
Mode of study: денна
Learning outcomes: - know basics of simulations with classical molecular dynamics and their applucations; - know principles of selection of statistical ensembles in simulations; - know to estimate particular parameters of physical system; - apply the skills in simulations of atomistic systems; - perform studies of structure and of main physical-chemical properties of disordered systems; - show practical skills in creating computer programs foor analysis of simulation data.
Required prior and related subjects: - prerequisites: quantum mechanics, statistical physics, computer languages; - corequisites: physics structurally disordered systems.
Summary of the subject: Package of classical computer simulations DL_POLY. Ensembles in computer simulations. Periodic boundary conditions. Molecular dynamics. Main algorithms. Generating initial configurations. Initial distribution of velocities. Temperature control. Simulations of pure and binary Lennard-Jones fluids.
Assessment methods and criteria: Defence of course project, differentiated test; final control (100%): defence – written component (70%), oral component (30%)
Recommended books: 1. Х.Гулд, Я.Тобочник. Компьютерное моделирование в физике. В 2-х томах. “Мир”, М., 1990 2. Д.В.Хеерман. Методы компьютерного эксперимента в теоретической физике. “Наука”, М., 1990 3. M.Allen, D.Tildesley. Computer simulation of liquids. Oxford Press, London, 1988. 4. D.Frenkel, B.Smit. Understanding Molecular Simulation. Academic Press. SanDiego,1996