Atomistic Modelling (ATM)3 ECTS
(englische Bezeichnung: Atomistic Modelling)

Lehrveranstaltungen:

• • Numerische Methoden in den Werkstoffwissenschaften - Atomistische Methoden
    (Vorlesung mit Übung, 2 SWS, Erik Bitzek, Di, 8:15 - 9:45, CIP Pool WW)

Inhalt:

The aim of this module 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 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 molecular dynamics (MD) codes like IMD and QuantumEspresso for DFT calculations.

Literatur:

Tadmor, Miller, Modeling Materials: Continuum, Atomistic and Multiscale Techniques, Cambridge University Press (January 16, 2012)
Dierk Raabe „Computational Materials Science“, Viley VCH, Weinheim, 1998 (T/00 /mat 15.2-115)
M. Austin, D. Chancogne "Engineering programming C, Matlab, Java", John Wiley & Sons Inc., (T00/mat 17.1-262b)

Studien-/Prüfungsleistungen:

Atomistic Modelling Modulprüfung (Prüfungsnummer: 483653)

(englischer Titel: Exam: Atomistic Modelling)

mündliche Prüfung, Dauer (in Minuten): 20, benotet

Erstablegung: SS 2014, 1. Wdh.: WS 2014/2015

1. Prüfer:

Erik Bitzek