[ 461WTPHTQCP20 ] PR Theoretical Quantum Chemistry

Workload Education level Study areas Responsible person Hours per week Coordinating university
3 ECTS M1 - Master's programme 1. year Physics Michel Bockstedte 2 hpw Johannes Kepler University Linz
Detailed information
Original study plan Master's programme Technical Physics 2020W
Objectives Training of competences in the quantum mechanical description of molecules and simulation strategies for the quantitative description of molecular properties using numerical approaches.
Subject Hands-on course supplementing the lecture on theoretical quantum chemistry; Usage of common simulation packages. Simulation assignments related to the topics of the lecture theoretical quantum chemistry. For the contents cf. the lecture: VL Theoretische Quantenchemie
Criteria for evaluation Reports and presentations on simulation assignments
Methods Guided implementation and evaluation of numerical simulation assignments
Language German
Study material As announced in the course
Changing subject? No
Further information course language may be changed to english if requested
On-site course
Maximum number of participants 15
Assignment procedure Assignment according to priority