TU Berlin

Seminar Quantum Mechanics / Moleculardynamics SoSe 2020

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SEMINAR - Quantum Mechanics / Moleculardynamics

Description

Both quantum mechanical and classical molecular dynamic systems can be described by means of a state space. One of the main problems in the numerical simulation of such systems is the increasing dimension of this state space with the number of particles (/degrees of freedom) involved. This leads to an exponential increase of the possible states and thus of the numerical complexity, the so-called curse of dimensions. In the quantum mechanical world there are different concepts to describe the phenomena mathematically.

Starting from the Schrödinger equation or the Schrödinger operator, we deal with concepts such as the Hartree-Fock method, the Coupled Cluster and the quantum Monte Carlo method. However, we also want to cover topics apart from the above mentioned ones, such as the basics of quantum computing or QM/MM coupling methods.

Literature

Will be announced in the seminar

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