Search result: Catalogue data in Spring Semester 2022
Computational Science and Engineering Bachelor  
Basic Courses  
Block G4  
Number  Title  Type  ECTS  Hours  Lecturers  

529043100L  Physical Chemistry III: Molecular Quantum Mechanics  O  4 credits  4G  F. Merkt  
Abstract  Postulates of quantum mechanics, operator algebra, Schrödinger's equation, state functions and expectation values, matrix representation of operators, particle in a box, tunneling, harmonic oscillator, molecular vibrations, angular momentum and spin, generalised Pauli principle, perturbation theory, electronic structure of atoms and molecules, BornOppenheimer approximation.  
Learning objective  This is an introductory course in quantum mechanics. The course starts with an overview of the fundamental concepts of quantum mechanics and introduces the mathematical formalism. The postulates and theorems of quantum mechanics are discussed in the context of experimental and numerical determination of physical quantities. The course develops the tools necessary for the understanding and calculation of elementary quantum phenomena in atoms and molecules.  
Content  Postulates and theorems of quantum mechanics: operator algebra, Schrödinger's equation, state functions and expectation values. Linear motions: free particles, particle in a box, quantum mechanical tunneling, the harmonic oscillator and molecular vibrations. Angular momentum: electronic spin and orbital motion, molecular rotations. Electronic structure of atoms and molecules: the Pauli principle, angular momentum coupling, the BornOppenheimer approximation. Variational principle and perturbation theory. Discussion of bigger systems (solids, nanostructures).  
Lecture notes  A script written in German will be available. The script is, however, no replacement for personal notes during the lecture and does not cover all aspects discussed.  
151010200L  Fluid Dynamics I  O  6 credits  4V + 2U  T. Rösgen  
Abstract  An introduction to the physical and mathematical foundations of fluid dynamics is given. Topics include dimensional analysis, integral and differential conservation laws, inviscid and viscous flows, NavierStokes equations, boundary layers, turbulent pipe flow. Elementary solutions and examples are presented.  
Learning objective  An introduction to the physical and mathematical principles of fluid dynamics. Fundamental terminology/principles and their application to simple problems.  
Content  Phenomena, applications, foundations dimensional analysis and similitude; kinematic description; conservation laws (mass, momentum, energy), integral and differential formulation; inviscid flows: Euler equations, stream filament theory, Bernoulli equation; viscous flows: NavierStokes equations; boundary layers; turbulence  
Lecture notes  Lecture notes (extended formulary) for the course are made available electronically.  
Literature  Recommended book: Fluid Mechanics, Kundu & Cohen & Dowling, 6th ed., Academic Press / Elsevier (2015).  
Prerequisites / Notice  Voraussetzungen: Physik, Analysis  
529048300L  Statistical Physics and Computer Simulation  O  4 credits  2V + 1U  S. Riniker, P. H. Hünenberger  
Abstract  Principles and applications of statistical mechanics and equilibrium molecular dynamics, Monte Carlo simulation, stochastic dynamics and free energy calculation. Exercises using a MD simulation program to generate ensembles and subsequently calculate ensemble averages.  
Learning objective  Introduction to statistical mechanics with the aid of computer simulation; development of skills to carry out statistical mechanical calculations using computers and interpret the results.  
Content  Principles and applications of statistical mechanics and equilibrium molecular dynamics, Monte Carlo simulation, stochastic dynamics and free energy calculation. Exercises using a MD simulation program to generate ensembles and subsequently calculate ensemble averages.  
Literature  will be announced in the course  
Prerequisites / Notice  Since the exercises on the computer do convey and test essentially different skills as those being conveyed during the lectures and tested at the written exam, the results of a small programming project will be presented in a 10minutes talk by pairs of students who had been working on the project. Additional information will be provided in the first lecture.  
Competencies 

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