FSI3080 Computational Physics 7.5 credits

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.

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.

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

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

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

• INL1 - Assignment, 4.0 credits, grading scale: P, F
• LAB1 - Computer lab, 3.5 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.

Computer assignments. Written exercises.

Jack Lidmar

• 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.