Particle Simulations

Students will acquire general knowledge of the most important methods for simulations of multiparticle systems and, according to their diploma thesis topic, they will focus on one of the four main areas: a) molecular dynamics methods (microcanonical and canonical ensembles, numerical integration of equations of motion), b) classical Monte Carlo methods (canonical, microcanonical, isothermal-isobaric, and grandcanonical MC methods), c) quantum Monte Carlo methods (variational, diffusion, and path-integral MC methods), and d) dynamical simulations (quasiclassical trajectory methods for adiabatic as well as non-adiabatic molecular dynamics, and quantum decoherence).