First-Principles Multiscale Modelling in Catalysis-, Energy-, and Materials-Research
PH1407 is a semester module in English language at Master’s level which is offered every semester.
This module description is valid to SS 2020.
If not stated otherwise for export to a non-physics program the student workload is given in the following table.
|Total workload||Contact hours||Credits (ECTS)|
|120 h||30 h||4 CP|
Responsible coordinator of the module PH1407 is Karsten Reuter.
Content, Learning Outcome and Preconditions
Seminar talks by students on current topics in the field of research. In particular applications and methodological (DFT, MD, MC, kMC) developments in the field of heterogeneous catalysis, hybrid nano-materials,
photo- and electro-catalysis, metal-organic frameworks (MOF), and solid-state battery materials are addressed.
After successful participation in the module the student can use the basic methods of literature retrieval, condense their knowlegde from scientific papers into a presentation and obtain presentation skills.
They have learned about recent topics in the field of research.
Introductory Quantum Mechanics, Many-Body Theory, and Statistical Physics, Methodological aspects of Molecular Simulation
Courses, Learning and Teaching Methods and Literature
Learning and Teaching Methods
seminar, oral presentation, discussion, guided literature search
reader with review and research articles, electronic slide presentation
Recent reviews and research articles on topics in the theory of novel functional materials will be provided.