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Before choosing course

Simulation methods, mainly Monte Carlo and molecular dynamics.

Choose semester and course offering

Choose semester and course offering to see information from the correct course syllabus and course offering.

* Retrieved from Course syllabus FSI3080 (Spring 2019–)

Content and learning outcomes

Course contents

The Monte Carlo and molecular dynamics methods. Simulations in different statistical mechanical ensembles. Computation of free energies. Stochastic dynamics. Applications to spin systems, fluids, polymers, and biological macromolecules.

Intended learning outcomes

After completed course, the PhD student should be able to:

  • identify the difference between simulations and other approximative and analytical methods.
  • perform simulations and computations with available programs.
  • write simple programs and make modifications of available programs.
  • describe the importance and limitations of a number of basic models with very broad applicability.
  • critically judge published results taking into account the limitations of the models and the statistical nature of several of the methods.

Course Disposition

No information inserted

Literature and preparations

Specific prerequisites

Statistical mechanics and quantum mechanics, quantum physics, and some familiarity with computers and computer programming.

Recommended prerequisites

No information inserted

Equipment

No information inserted

Literature

M.P. Allen and D.J. Tildesley, Computer simulations of liquids compiled with own material.

Examination and completion

If the course is discontinued, students may request to be examined during the following two academic years.

Grading scale

P, F

Examination

  • INL1 - Assignment, 4,0 hp, betygsskala: P, F
  • LAB1 - Computer lab, 3,5 hp, betygsskala: P, F

Based on recommendation from KTH’s coordinator for disabilities, the examiner will decide how to adapt an examination for students with documented disability.

The examiner may apply another examination format when re-examining individual students.

Other requirements for final grade

Computer assignments. Written exercises.

Opportunity to complete the requirements via supplementary examination

No information inserted

Opportunity to raise an approved grade via renewed examination

No information inserted

Examiner

Profile picture Anatoly Belonoshko

Ethical approach

  • All members of a group are responsible for the group's work.
  • In any assessment, every student shall honestly disclose any help received and sources used.
  • In an oral assessment, every student shall be able to present and answer questions about the entire assignment and solution.

Further information

Course web

Further information about the course can be found on the Course web at the link below. Information on the Course web will later be moved to this site.

Course web FSI3080

Offered by

SCI/Physics

Main field of study

No information inserted

Education cycle

Third cycle

Add-on studies

No information inserted

Contact

Anatoly Belonoshko

Postgraduate course

Postgraduate courses at SCI/Physics