Course: Computational Physics - Computer Modeling

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Course title Computational Physics - Computer Modeling
Course code UFY/PFM
Organizational form of instruction Lecture + Lesson
Level of course Bachelor
Year of study not specified
Frequency of the course In each academic year, in the summer semester.
Semester Summer
Number of ECTS credits 4
Language of instruction Czech
Status of course Compulsory, Compulsory-optional, Optional
Form of instruction unspecified
Work placements unspecified
Recommended optional programme components None
Lecturer(s)
  • Předota Milan, doc. RNDr. Ph.D.
  • Jelínek Petr, doc. RNDr. Ph.D.
Course content
Content of lectures: 1. Principles of Monte Carlo 2. Monte Carlo - grid systems, discrete models of surface growth, kinetics with barriers. 3. Monte Carlo - continuous systems, models with hard core 4. Monte Carlo - technical realization - boundary conditions, the choice of trial move, the effectiveness of simulation 5. Measurements in computer simulations - convergence profiles, pair correlation function, fluctuation variables 6. GROMACS program - introduction. 7. Molecular dynamics - technical realization, the choice of the time step 8. Molecular dynamics - methods of temperature, simple thermostats 9. Simulations of charged systems - introduction 10. Simulations of molecules 11. Parallel simulation - Principles 12. Numerical hydrodynamics (Smoothed Particle Hydrodynamics) 13. Numerical magnetohydrodynamics 14. Programs for HD and MHD - Athena, FLASH, ... Content of practicals: Solving simulation problems on a computer in accordance with the content of lectures using GROMACS software, Athena, FLASH

Learning activities and teaching methods
Monologic (reading, lecture, briefing), Demonstration, Activating (simulations, games, drama)
  • Class attendance - 36 hours per semester
  • Preparation for classes - 30 hours per semester
  • Preparation for exam - 30 hours per semester
  • Preparation for credit - 20 hours per semester
Learning outcomes
To acquaint students with the fundamentals of Monte Carlo method, molecular dynamics and modeling of continuous systems. To model simple model systems using available software. Understand the style of work in computer modeling using computer pseudoexperiments.
Student will understand simulations as a computer (pseudo)experiment, will be able to prepare, run, and analyze molecular simulations using methods of Monte Carlo, molecular dynamics and modeling of continuous systems.
Prerequisites
Basics of programming, basics of work in linux (can be quickly gained).

Assessment methods and criteria
Student performance assessment, Combined exam

Criteria for obtaining the course credit (zápočet): Solving at least 70% of tasks solved during exercises with the help of the teacher. Independent solution of individual tasks to at least 50%. Criterium for passing the exam: At least 50% knowledge of the topic contained in the two drawn test questions.
Recommended literature
  • Chung, T. J.: Computational Fluid Dynamics, USA, Cambridge University Press, 2002.
  • I. Nezbeda, J. Kolafa, M. Kotrla: Úvod do počítačových simulací: Metody Monte Carlo a molekulární dynamiky, Karolinum 2003.
  • Priest, E. R.: Solar Magnetohydrodynamics, London, D. Reidel Publishing Company, 1982.
  • Uživatelský manuál a návody (tutorials) k programu GROMACS: http://www.gromacs.org.


Study plans that include the course
Faculty Study plan (Version) Category of Branch/Specialization Recommended year of study Recommended semester
Faculty: Faculty of Science Study plan (Version): Physics (1) Category: Physics courses 2 Recommended year of study:2, Recommended semester: Summer
Faculty: Faculty of Science Study plan (Version): Measuring and Computer Technology (1) Category: Electrical engineering, telecommunication and IT - Recommended year of study:-, Recommended semester: Summer
Faculty: Faculty of Science Study plan (Version): Applied Mathematics (2010) Category: Mathematics courses - Recommended year of study:-, Recommended semester: Summer
Faculty: Faculty of Science Study plan (Version): Biophysics (1) Category: Physics courses - Recommended year of study:-, Recommended semester: Summer
Faculty: Faculty of Science Study plan (Version): Biophysics (1) Category: Physics courses - Recommended year of study:-, Recommended semester: Summer
Faculty: Faculty of Science Study plan (Version): Secondary Schools Teacher Training in Physics (2012) Category: Pedagogy, teacher training and social care - Recommended year of study:-, Recommended semester: Summer
Faculty: Faculty of Science Study plan (Version): Physics for future teachers (1) Category: Physics courses - Recommended year of study:-, Recommended semester: Summer