MRC14: Computerchemie für Festkörper

Diese Veranstaltung wird im Rahmen der folgenden Module angeboten:

Studiengang Chemie:

Modul MA-CH-MRC14 "Computational Chemistry of Solids", "Computerchemie für Festkörper" (2 0 3)

Termine:

Vorlesung: DO(4), HSZ/203, Beginn: 14.10.2021

Praktikum: DO(5-6), HSZ/203, Beginn: 14.10.2021

Sprache:

Deutsch oder Englisch

Content:

This application-oriented module teaches basics and procedures of solid-state calculations by means of modern computational chemistry approaches. It is aimed at all interested students of the chemistry master's degree program or related programs.

Structure-property relationships are discussed as well as approaches to a quantum-theoretical description of periodic systems. In addition to basics of electronic-structure theory, the focus is laid on the electronic and vibronic structure of solids, the crystal lattice and its description, symmetry, band structure and density of states of different solids, magnetism and phonons as well as low-dimensional nanostructures. Examples give insight into current research areas in materials chemistry.