165.144 Simulations of solids
This course is in all assigned curricula part of the STEOP.
This course is in at least 1 assigned curriculum part of the STEOP.

2019W, VU, 2.0h, 3.0EC, to be held in blocked form

Properties

Semester hours: 2.0
Credits: 3.0
Type: VU Lecture and Exercise

Learning outcomes

After successful completion of the course, students are able to...

understand lattice vibrations in solids
describe magnetism and relativistic effects
use and operate quantummechanical calculations for solids

Subject of course

Quantum mechanical methods for solids and surfaces Structure optimization, DFT, Phonons and finite temperature, Magnetism and relativistic effects, Quantum mechanical simulations of materials properties and their interpretations Relations between crystal structure and physical/chemical properties

Teaching methods

Lecture about foundations of solid state theory, DFT, Magnetism, Lattice vibrations
Operate exercises on a PC

Mode of examination

Oral

Additional information

! For data protection purposes we can only respond to enquiries sent from an official TU (student) e-mail address !

Lecturers

Blaha, Peter
Arrigoni, Marco
Carrete Montana, Jesús
Tran, Fabien

Institute

E165 Institute of Materials Chemistry

Course dates

Day	Time	Date	Location	Description
Mon	14:00 - 14:30	07.10.2019	Seminarraum Theoretische Chemie, BA 01 56A	Vorbesprechung
Mon	14:00 - 15:30	14.10.2019 - 03.02.2020	Seminarraum Theoretische Chemie, BA01 56A (right)	Lecture

Show single appointments

Simulations of solids - Single appointments

Day	Date	Time	Location	Description
Mon	07.10.2019	14:00 - 14:30	Seminarraum Theoretische Chemie, BA 01 56A	Vorbesprechung
Mon	14.10.2019	14:00 - 15:30	Seminarraum Theoretische Chemie, BA01 56A (right)	Lecture
Mon	21.10.2019	14:00 - 15:30	Seminarraum Theoretische Chemie, BA01 56A (right)	Lecture
Mon	28.10.2019	14:00 - 15:30	Seminarraum Theoretische Chemie, BA01 56A (right)	Lecture
Mon	04.11.2019	14:00 - 15:30	Seminarraum Theoretische Chemie, BA01 56A (right)	Lecture
Mon	11.11.2019	14:00 - 15:30	Seminarraum Theoretische Chemie, BA01 56A (right)	Lecture
Mon	18.11.2019	14:00 - 15:30	Seminarraum Theoretische Chemie, BA01 56A (right)	Lecture
Mon	25.11.2019	14:00 - 15:30	Seminarraum Theoretische Chemie, BA01 56A (right)	Lecture
Mon	02.12.2019	14:00 - 15:30	Seminarraum Theoretische Chemie, BA01 56A (right)	Lecture
Mon	09.12.2019	14:00 - 15:30	Seminarraum Theoretische Chemie, BA01 56A (right)	Lecture
Mon	16.12.2019	14:00 - 15:30	Seminarraum Theoretische Chemie, BA01 56A (right)	Lecture
Mon	23.12.2019	14:00 - 15:30	Seminarraum Theoretische Chemie, BA01 56A (right)	Lecture
Mon	30.12.2019	14:00 - 15:30	Seminarraum Theoretische Chemie, BA01 56A (right)	Lecture
Mon	06.01.2020	14:00 - 15:30	Seminarraum Theoretische Chemie, BA01 56A (right)	Lecture
Mon	13.01.2020	14:00 - 15:30	Seminarraum Theoretische Chemie, BA01 56A (right)	Lecture
Mon	20.01.2020	14:00 - 15:30	Seminarraum Theoretische Chemie, BA01 56A (right)	Lecture
Mon	27.01.2020	14:00 - 15:30	Seminarraum Theoretische Chemie, BA01 56A (right)	Lecture
Mon	03.02.2020	14:00 - 15:30	Seminarraum Theoretische Chemie, BA01 56A (right)	Lecture

Course is held blocked

Examination modalities

Oral exam
Answer a questionair related to the practical exercises

Course registration

Not necessary

Curricula

Study Code	Obligation	Semester	Precon.	Info
066 490 Technical Chemistry	Mandatory elective
066 646 Computational Science and Engineering	Not specified
066 658 Chemie und Technologie der Materialien	Not specified

Literature

No lecture notes are available.

Go to Course Materials

Previous knowledge

Theoretical Chemistry

Preceding courses

165.141 VO Physical and theoretical solid state chemistry

Language

if required in English