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  Numerische Methoden in den Werkstoffwissenschaften - Atomistische Methoden (NumWW)

Lecturer
Prof. Dr.-Ing. Erik Bitzek, Privatdozent

Details
Vorlesung mit Übung
Online
4 cred.h, ECTS studies, ECTS credits: 3
nur Fachstudium, Sprache Englisch
Zeit: ; comments on time and place: Vorbesprechung 06.05. 13:15-14:00 Uhr per zoom; For more information see studon: https://www.studon.fau.de/crs2202381.html

Fields of study
WPF MWT-MA-AWE ab 1 (ECTS-Credits: 3)
PF MWT-MA-WSI 2 (ECTS-Credits: 3)
WPF MWT-MA-MNF ab 1 (ECTS-Credits: 3)
PF MAP-S-CMP 2 (ECTS-Credits: 3)
WF CE-MA-TA-CMS 2 (ECTS-Credits: 3)

Prerequisites / Organisational information
This lecture will be taught in English. Prerequisites:
  • active account for the CIP Pool WW

(available at the Geschäftsstelle WW)

  • working knowledge of the Linux-operating system, will be examined in the first lecture.

Contents
The aim of the course is to build the theoretical basis required to perform and analyze cutting-edge atomistic simulations in materials science, and to provide the students with a "computational toolbox” for the most common tasks in atomistic modeling. The focus of this course lies on direct hands-on teaching. The students will work on multiple little projects related to current research topics. This will enable the students to independently perform simulations using classical MD codes like IMD and QuantumEspresso for DFT calculations.

Recommended literature
Tadmor, Miller, Modeling Materials: Continuum, Atomistic and Multiscale Techniques, Cambridge University Press (January 16, 2012)

Further information on literature will be provided in the course.

ECTS information:
Credits: 3

Additional information
Keywords: Numerical Methods in Material Science
Expected participants: 31

Verwendung in folgenden UnivIS-Modulen
Startsemester WS 2022/2023:
Discrete and Continuum Simulation (DCS)
Kernfach Mikro- und Nanostrukturforschung für MWT (MNF_M1_MWT)
Kernfach Mikro- und Nanostrukturforschung für NT (MNF_M6_NT)

Department: Chair of General Materials Properties
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