Uusi opinto-opas (sisältäen myös opetusohjelmat) lukuvuodelle 2018-2019 sijaitsee osoitteessa https://opas.peppi.utu.fi . Tältä sivustolta löytyvät enää vanhat opinto-oppaat ja opetusohjelmat.

The new study guide (incl. teaching schedules) for academic year 2018-2019 can be found at https://studyguide.utu.fi. This site contains only previous years' guides.

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Archived Curricula Guide 2014–2016
Curricula Guide is archieved. Please refer to current Curricula Guides
FFYS7065 Computational Materials Physics 8 ECTS
Organised by
Physics
Person in charge
Kalevi Kokko
Planned organizing times
Period(s) I II III IV
2014–2015 X X
Preceding studies
Recommended:
Mathematical methods 1-3, Quantum mechanics I, Atomic and molecular physics, Statistical physics and thermodynamics

Learning outcomes

The student knows the basic quantities and concepts used in computational modeling of materials and knows the most frequently used computational methods and programs for the simulation of materials. The student understands the theoretical basis of computational methods and is able to independently search and install computational program packages. The student understands the meaning of theoretical models in interpretation of computational results and in comparison between computational and experimental results.

Contents

The classification of Bravais lattices and crystal structures, quasi crystals, reciprocal lattice and reciprocal space, energy band structure of electrons and spectroscopy, electronic states in materials and quantities which can be derived from them, Hartree and Hartree-Fock methods, density functional theory, variational method, perturbation method, free-electron method and tight-binding method, Green function method, coherent potential approximation, molecular dynamics and Monte Carlo methods, exercises related to computational methods.

Teaching methods

Teaching method Contact Online
Lectures 56 h 0 h
Exercises 24 h 0 h

Lectures and exercises

Teaching language

English

Modes of study

Option 1
Available for:
  • Degree Programme Students
  • Other Students
  • Doctoral Students
  • Exchange Students
Written exam
  • In English
Project / practical work
  • In English
Participation in classroom work
  • In English

Written exam.

Evaluation

Numeric 0-5.

Recommended year of study

4. year spring
5. year spring

Study materials

 

Study material: Lecture notes, Ashcroft, N.W., Mermin, N.D.,Solid State Physics, Holt-Saunders, Ohno, K., Esfarjani, K., Kawazoe, Y., Computational Materials Science, Springer, O'Reilly, E.P., Quantum theory of Solids, Taylor and Francis

Belongs to following study modules

Department of Physics and Astronomy
Department of Physics and Astronomy
Department of Chemistry
2014–2015
Teaching
Archived Teaching Schedule. Please refer to current Teaching Shedule.
Department of Physics and Astronomy
Degree Programme in Physical Sciences
DP in Physics Education Track
Degree Programme in Physical Sciences
DP in Theoretical Physics
Finnish Study Modules