[ TPMWTVOCOP2 ] VL Computational Physics II

Workload Education level Study areas Responsible person Hours per week Coordinating university
3 ECTS M2 - Master's programme 2. year Physics Robert Zillich 2 hpw Johannes Kepler University Linz
Detailed information
Original study plan Master's programme Nanoscience and Technology 2020W
Objectives In the 2nd part of the class "Computational Physics", we present modern methods for the simulation of many-body systems. The students are to learn how modern simulation methods can faithfully represent a physical system in a computer and how to efficiently implement simulation programs. Several topics and aspects of statistical physics and quantum physics are treated in depth. Knowledge of standard programming techniques is taken for granted and is not taught.
Subject The class is divided into 3 main parts:

  1. molecular dynamics simulations
  2. classical Monte Carlo methods
  3. quantum Monte Carlo methods
Criteria for evaluation Successful completion of projects: writing of simulation programs; calculation of obervable quantities using the programs and comparison with values from literature; writing a report presenting the obtained simulation results.
Methods The students learn by doing: they implement their own simulation code (MD, classical MC, and/or quantum MC).
Language English
Study material M. P. Allen & D. J. Tildesley "Computer Simulations of Liquids", Oxford Science Pub.
D. Frenkel & B. Smit "Understanding Molecular Simulation", Academic Press
R. Guardiola in "Microscopic Quantum Many-Body Theories and their Applications", Lecture Notes in Physics, Springer
B. L. Hammond et al. "Monte Carlo Methods in Ab Initio Quantum Chemistry", World Scientific Pub.
Changing subject? No
On-site course
Maximum number of participants -
Assignment procedure Direct assignment