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Before choosing course

An advanced course in numerical analysis focusing on the computer simulation of condensed matter systems using particles. The main part of the course concerns the molecular dynamics simulation technique (MD).

Course offering missing for current semester as well as for previous and coming semesters
* Retrieved from Course syllabus MH2102 (Spring 2009–)

Content and learning outcomes

Course contents

Numerical methods in theoretical physics; the nature of mathematical experiments. Elements of statistical mechanics. Statistical ensembles and ergodic aspects. Comparative review of molecular dynamics algorithms. Description of macroscopic properties using collective variables and correlation functions. Using simulation for interpreting laboratory experiments (inelastic neutron scattering, etc). Statistical accuracy and systematic errors. Simulation of various phases of condensed matter: crystalline solids, liquids, glasses and quasi crystals. Constrained methods. Non-Newtonian algoritms of molecular dynamics. High-performance methods of simulation. Using parallel processing. Survey of Monte-Carlo methods. Methods of structural characterization using reversed Monte-Carlo. Quantum simulation.

Intended learning outcomes

The goals of the course are to

  • introduce the basic concepts and techniques of molecular dynamics and other methods of computer simulation of condensed matter,
  • present and discuss the role of simulation as an independent method of research in condensed matter physics,
  • demonstrate some results obtained by computer simulation which constitute an integral part of the modern condensed matter physics,

so that the students will be able to

  • use and understand molecular dynamics simulation.

Course Disposition

No information inserted

Literature and preparations

Specific prerequisites

Elementary statistical and solid-state physics. Elementary knowledge of programming and numerical methods.

Recommended prerequisites

No information inserted

Equipment

No information inserted

Literature

To be announced at course start.

Examination and completion

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

Grading scale

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

Examination

  • PRO1 - Project, 7,5 hp, betygsskala: 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.

Other requirements for final grade

Project with examination (PRO1; 7,5 cr.).

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 Michail Dzugutov

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 MH2102

Offered by

ITM/Materials Science and Engineering

Main field of study

No information inserted

Education cycle

Second cycle

Add-on studies

Please discuss with the instructor.

Contact

Professor Mikhail Dzugotov, mik@pdc.kth.se