Numerische Methoden in den Werkstoffwissenschaften - Atomistische Methoden


(Prof. Dr. Erik Bitzek, WW1)

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.