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.

The course aims to provide an introduction to computational physics, the area of physics that has emerged alongside experimental and theoretical physics. The objective is that, upon completion of the course, students shall:

• Be able to identify the difference between simulations and other approximate and analytical methods.
• Be able to perform simulations and calculations using a number of existing programs.
• Have sufficient insight into the structure of the programs to be able to write simple programs themselves and modify existing ones.
• Be able to describe the significance and limitations of a number of fundamental models with very broad applications.
• Be able to critically assess the results, taking into account the limitations of the models and the statistical nature of the methods.

Course activities

• 9 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 corresponding to SI1162, modern 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

• LAB1 - Laboratory Work, 3.0 credits, grading scale: P, F
• PRO1 - Project, 4.5 credits, grading scale: A, B, C, D, E, FX, 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.

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

Requirements

• 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.
  
  
• PRO1 - 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.

The course syllabus is valid from Spring 2022 according to the school principal's decision: S-2022-0529 Decision date: 2022-02-24