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.

To give an introduction to computational physics, which is a third area of physics beside experimental and theoretical physics. The goal is that the students should be able to:

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

Course activities

8 Lectures covering theoretical ideas

5 computer labs giving hands on experience of several types of simulations

1 larger project exercise

See the schedule and Canvas page for detailed information.

Statistical mechanics and quantum mechanics corresponding to SI1161 quantum physics and some familiarity with computers and computer programming.

Lecture notes, articles and parts of books.
See Canvas for details.

Students at KTH with a permanent disability can get support during studies from Funka:

Funka - compensatory support for students with disabilities

A, B, C, D, E, FX, F

• INL1 - Assignment, 4.5 credits, Grading scale: A, B, C, D, E, FX, F
• LAB1 - Laboratory Work, 3.0 credits, Grading scale: 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.

Requirements

Written reports for the labs and the project.

• LAB1 - Laboratory Work, 3.0 credits
  5 computer labs, graded with P/F.
  Hand in individually written lab reports on Canvas.
  Deadline: 1 week after the computer lab.
  
  
• INL1 - Assignment, 4.5 credits
  Individual project, graded A-F (or P/F for PhD students taking SI3080).
  May be submitted only after completion of the computer labs.
  Deadline: End of semester.

Computer assignments (LAB1; 3 university credits)
Written exercises (INL1; 4,5 university credits).

• 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.