Numerical Modeling of Solids Field of study: Physics
Programme code: W4-S2FZA22.2.2021

Module name: Numerical Modeling of Solids
Module code: W4-2F-12-24
Programme code: W4-S2FZA22.2.2021
Semester: winter semester 2022/2023
Language of instruction: English
Form of verification: exam
ECTS credits: 4
Description:
Predicting of the solid state material properties such as electronic structure (e.g. whether the material is an insulator or conductor), magnetic and elastic properties (e.q. Bulk modulus or the equilibrium lattice constant) obtained from computer calculations based on Density Functional Theory using Plane Waves or Linear Augmented Plane Waves methods. The relation between optical and spectroscopic properties with electronic structure. Lecture ends with an exam, the computer laboratory exercises finishes with reports (depicting the modelled compounds).
Prerequisites:
Basic solid state course Basic quantum mechanics Basic abilities computer science - knowledge of Linux
Key reading:
(no information given)
Learning outcome of the module Codes of the learning outcomes of the programme to which the learning outcome of the module is related [level of competence: scale 1-5]
has in-depth knowledge of condensed phase physics [2F_24_1]
 KF_W04 [3/5]
knows the basics of programming in scientific applications and selected numerical algorithms [2F_24_2]
 KF_W07 [4/5]
knows the structure, principle of operation and the scope of application of software for atomistic computer simulations [2F_24_3]
 KF_W08 [4/5]
can write own implementations of selected procedures and functions [2F_24_4]
 KF_U02 [4/5]
is able to independently prepare the study results [2F_24_5]
 KF_U11 [4/5]
can work in a group; is able to define priorities for the implementation of the task [2F_24_6]
 KF_K03 [5/5]
is able to undertake a substantive discussion on the issue [2F_24_7]
 KF_K07 [4/5]
Type Description Codes of the learning outcomes of the module to which assessment is related
activity in class [2F_24_w_1]
execution of exercises; participation in the discussion; grading scale 2-5
 2F_24_2 2F_24_3 2F_24_4 2F_24_6 2F_24_7
report [2F_24_w_2]
report on the exercises carried out; grading scale 2-5
 2F_24_5
oral exam (or test exam) [2F_24_w_3]
the condition for taking the exam is passing the laboratory; scope of the material - all issues discussed; grading scale 2-5
 2F_24_1 2F_24_2 2F_24_3
Form of teaching Student's own work Assessment of the learning outcomes
Type Description (including teaching methods) Number of hours Description Number of hours
lecture [2F_24_fs_1]
lecture of selected basic issues with the use of audiovisual aids
 10
supplementary reading, work with the textbook
 20 oral exam (or test exam) [2F_24_w_3]
laboratory classes [2F_24_fs_2]
writing own programs or own implementations of selected computational procedures; performing calculations using proprietary software and / or other available software packages; presentation of the obtained results and discussion
 30
preparation of the report
 40 activity in class [2F_24_w_1] report [2F_24_w_2]
Attachments
Module description (PDF)
Information concerning module syllabuses might be changed during studies.
Syllabuses (USOSweb)
Semester Module Language of instruction
(no information given)