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First-Principles Multiscale Modelling in Catalysis-, Energy-, and Materials-Research

Module PH1407

This module handbook serves to describe contents, learning outcome, methods and examination type as well as linking to current dates for courses and module examination in the respective sections.

Basic Information

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 workloadContact hoursCredits (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.

Learning Outcome

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.

Module Exam

Description of exams and course work

In the course of the seminar each student individually prepares a talk on a topic of current research. Based on this talk the learning outcome is tested.

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