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NummerTitelTypECTSUmfangDozierende
651-4053-05LBoundary Layer MeteorologyW4 KP3GM. Rotach, P. Calanca
KurzbeschreibungThe Planetary Boundary Layer (PBL) constitutes the interface between the atmosphere and the Earth's surface. Theory on transport processes in the PBL and their dynamics is provided. This course treats theoretical background and idealized concepts. These are contrasted to real world applications and current research issues.
LernzielOverall goals of this course are given below. Focus is on the theoretical background and idealised concepts.
Students have basic knowledge on atmospheric turbulence and theoretical as well as practical approaches to treat Planetary Boundary Layer flows. They are familiar with the relevant processes (turbulent transport, forcing) within, and typical states of the Planetary Boundary Layer. Idealized concepts are known as well as their adaptations under real surface conditions (as for example over complex topography).
Inhalt- Introduction
- Turbulence
- Statistical tratment of turbulence, turbulent transport
- Conservation equations in a turbulent flow
- Closure problem and closure assumptions
- Scaling and similarity theory
- Spectral characteristics
- Concepts for non-ideal boundary layer conditions
Skriptavailable (i.e. in English)
Literatur- Stull, R.B.: 1988, "An Introduction to Boundary Layer Meteorology", (Kluwer), 666 pp.
- Panofsky, H. A. and Dutton, J.A.: 1984, "Atmospheric Turbulence, Models and Methods for Engineering Applications", (J. Wiley), 397 pp.
- Kaimal JC and Finningan JJ: 1994, Atmospheric Boundary Layer Flows, Oxford University Press, 289 pp.
- Wyngaard JC: 2010, Turbulence in the Atmosphere, Cambridge University Press, 393pp.
Voraussetzungen / BesonderesUmwelt-Fluiddynamik (701-0479-00L) (environment fluid dynamics) or equivalent and basic knowledge in atmospheric science
701-1221-00LDynamics of Large-Scale Atmospheric Flow Information W4 KP2V + 1UH. Wernli, L. Papritz
KurzbeschreibungDie Vorlesung vermittelt die Grundlagen der Dynamik von aussertropischen Wettersystemen (quasi-geostrophische Dynamik, potentielle Vorticity, Rossby-Wellen, barokline Instabilität). Grundlegende Konzepte werden formal eingeführt, quantitativ angewendet und mit realen Beispielen illustriert und vertieft. Übungen (quantitativ und qualitativ) sind ein wesentlicher Bestandteil des Kurses.
LernzielVerständnis für dynamische Prozesse in der Atmosphäre sowie deren
mathematisch-physikalische Formulierung.
InhaltDie Atmosphärenphysik II behandelt vor allem die dynamischen Prozesse in der Erdatmosphäre. Diskutiert werden die Bewegungsgesetze der Atmosphäre und die Dynamik und Wechselwirkungen von synoptischen Systemen - also den wetterbestimmenden Hoch- und Tiefdruckgebieten. Mathematische Grundlage hierfuer ist insbesondere die Theorie der quasi-geostrophischen Bewegung, die im Rahmen der Vorlesung hergeleitet und interpretiert wird.
SkriptDynamics of large-scale atmospheric flow
Literatur- Holton J.R., An introduction to Dynamic Meteorogy. Academic Press, fourth edition 2004,
- Pichler H., Dynamik der Atmosphäre, Bibliographisches Institut, 456 pp. 1997
Voraussetzungen / BesonderesVoraussetzungen: Physik I, II, Umwelt Fluiddynamik
529-0003-01LAdvanced Quantum Chemistry
IMPORTANT NOTICE for Chemistry students: There are two different version of this course for the two regulations (2005/2018), please make sure to register for the correct version according to the regulations you are enrolled in. Please do not register for this course if you are enrolled in Chemistry regulations 2005.
W6 KP3GM. Reiher, S. Knecht
KurzbeschreibungAdvanced, but fundamental topics central to the understanding of theory in chemistry and for solving actual chemical problems with a computer.
Examples are:
* Operators derived from principles of relativistic quantum mechanics
* Relativistic effects + methods of relativistic quantum chemistry
* Open-shell molecules + spin-density functional theory
* New electron-correlation theories
LernzielThe aim of the course is to provide an in-depth knowledge of theory and method development in theoretical chemistry. It will be shown that this is necessary in order to be able to solve actual chemical problems on a computer with quantum chemical methods.

The relativistic re-derivation of all concepts known from (nonrelativistic) quantum mechanics and quantum-chemistry lectures will finally explain the form of all operators in the molecular Hamiltonian - usually postulated rather than deduced. From this, we derive operators needed for molecular spectroscopy (like those required by magnetic resonance spectroscopy). Implications of other assumptions in standard non-relativistic quantum chemistry shall be analyzed and understood, too. Examples are the Born-Oppenheimer approximation and the expansion of the electronic wave function in a set of pre-defined many-electron basis functions (Slater determinants). Overcoming these concepts, which are so natural to the theory of chemistry, will provide deeper insights into many-particle quantum mechanics. Also revisiting the workhorse of quantum chemistry, namely density functional theory, with an emphasis on open-shell electronic structures (radicals, transition-metal complexes) will contribute to this endeavor. It will be shown how these insights allow us to make more accurate predictions in chemistry in practice - at the frontier of research in theoretical chemistry.
Inhalt1) Introductory lecture: basics of quantum mechanics and quantum chemistry
2) Einstein's special theory of relativity and the (classical) electromagnetic interaction of two charged particles
3) Klein-Gordon and Dirac equation; the Dirac hydrogen atom
4) Numerical methods based on the Dirac-Fock-Coulomb Hamiltonian, two-component and scalar relativistic Hamiltonians
5) Response theory and molecular properties, derivation of property operators, Breit-Pauli-Hamiltonian
6) Relativistic effects in chemistry and the emergence of spin
7) Spin in density functional theory
8) New electron-correlation theories: Tensor network and matrix product states, the density matrix renormalization group
9) Quantum chemistry without the Born-Oppenheimer approximation
SkriptA set of detailed lecture notes will be provided, which will cover the whole course.
Literatur1) M. Reiher, A. Wolf, Relativistic Quantum Chemistry, Wiley-VCH, 2014, 2nd edition
2) F. Schwabl: Quantenmechanik für Fortgeschrittene (QM II), Springer-Verlag, 1997
[english version available: F. Schwabl, Advanced Quantum Mechanics]
3) R. McWeeny: Methods of Molecular Quantum Mechanics, Academic Press, 1992
4) C. R. Jacob, M. Reiher, Spin in Density-Functional Theory, Int. J. Quantum Chem. 112 (2012) 3661
http://onlinelibrary.wiley.com/doi/10.1002/qua.24309/abstract
5) K. H. Marti, M. Reiher, New Electron Correlation Theories for Transition Metal Chemistry, Phys. Chem. Chem. Phys. 13 (2011) 6750
http://pubs.rsc.org/en/Content/ArticleLanding/2011/CP/c0cp01883j
6) K.H. Marti, M. Reiher, The Density Matrix Renormalization Group Algorithm in Quantum Chemistry, Z. Phys. Chem. 224 (2010) 583
http://www.oldenbourg-link.com/doi/abs/10.1524/zpch.2010.6125
7) E. Mátyus, J. Hutter, U. Müller-Herold, M. Reiher, On the emergence of molecular structure, Phys. Rev. A 83 2011, 052512
http://pra.aps.org/abstract/PRA/v83/i5/e052512

Note also the standard textbooks:
A) A. Szabo, N.S. Ostlund. Verlag, Dover Publications
B) I. N. Levine, Quantum Chemistry, Pearson
C) T. Helgaker, P. Jorgensen, J. Olsen: Molecular Electronic-Structure Theory, Wiley, 2000
D) R.G. Parr, W. Yang: Density-Functional Theory of Atoms and Molecules, Oxford University Press, 1994
E) R.M. Dreizler, E.K.U. Gross: Density Functional Theory, Springer-Verlag, 1990
Voraussetzungen / BesonderesStrongly recommended (preparatory) courses are: quantum mechanics and quantum chemistry
151-0105-00LQuantitative Flow VisualizationW4 KP3GT. Rösgen
KurzbeschreibungThe course provides an introduction to digital image analysis in modern flow diagnostics. Different techniques which are discussed include image velocimetry, laser induced fluorescence, liquid crystal thermography and interferometry. The physical foundations and measurement configurations are explained. Image analysis algorithms are presented in detail and programmed during the exercises.
LernzielIntroduction to modern imaging techniques and post processing algorithms with special emphasis on flow analysis and visualization.
Understanding of hardware and software requirements and solutions.
Development of basic programming skills for (generic) imaging applications.
InhaltFundamentals of optics, flow visualization and electronic image acquisition.
Frequently used mage processing techniques (filtering, correlation processing, FFTs, color space transforms).
Image Velocimetry (tracking, pattern matching, Doppler imaging).
Surface pressure and temperature measurements (fluorescent paints, liquid crystal imaging, infrared thermography).
Laser induced fluorescence.
(Digital) Schlieren techniques, phase contrast imaging, interferometry, phase unwrapping.
Wall shear and heat transfer measurements.
Pattern recognition and feature extraction, proper orthogonal decomposition.
SkriptHandouts will be made available.
Voraussetzungen / BesonderesPrerequisites: Fluiddynamics I, Numerical Mathematics, programming skills.
Language: German on request.
151-0109-00LTurbulent FlowsW4 KP2V + 1UP. Jenny
KurzbeschreibungInhalt
- Laminare und turbulente Strömungen, Turbulenzentstehung - Statistische Beschreibung: Mittelung, Turbulenzenergie, Dissipation, Schliessungsproblem - Skalenbetrachtungen. Homogene isotrope Turbulenz, Korrelationen, Fourierzerlegung, Energiespektrum - Freie Turbulenz. Nachlauf, Freistrahl, Mischungsschicht - Wandturbulenz. Turbulente Grenzschicht, Kanalströmung - Turbulenzberechnung
LernzielDie Vorlesung vermittelt einen Einblick in grundlegende physikalische Phänomene turbulenter Strömungen und in Gesetzmässigkeiten zu ihrer Beschreibung, basierend auf den strömungsmechanischen Grundgleichungen und daraus abgeleiteten Gleichungen. Grundlagen zur Berechnung turbulenter Strömungen und Elemente der Turbulenzmodellierung werden dargestellt.
Inhalt- Eigenschaften laminarer, transitioneller und turbulenter Strömungen
- Turbulenzbeeinflussung und Turbulenzentstehung, hydrodynamische Instabilität und Transition
- Statistische Beschreibung: Mittelung, Gleichungen für mittlere Strömung, turbulente Schwankungen, Turbulenzenergie, Reynoldsspannungen, Dissipation. Schliessungsproblem
- Skalenbetrachtungen. Homogene isotrope Turbulenz, Korrelationen, Fourierzerlegung, Energiespektrum, Gitterturbulenz
- Freie Turbulenz. Nachlauf, Freistrahl, Mischungsschicht
- Wandturbulenz. Turbulente Grenzschicht, Kanalströmung
- Grundlagen zur Berechnung turbulenter Strömungen und Elemente der Turbulenzmodellierung (Wirbelzähigkeitsmodelle, k-epsilon-Modell).
SkriptLecture notes in English, zusätzliches schriftliches Begleitmaterial auf Deutsch
LiteraturS.B. Pope, Turbulent Flows, Cambridge University Press, 2000
151-0213-00LFluid Dynamics with the Lattice Boltzmann Method
Findet dieses Semester nicht statt.
W4 KP3GI. Karlin
KurzbeschreibungThe course provides an introduction to theoretical foundations and practical usage of the Lattice Boltzmann Method for fluid dynamics simulations.
LernzielMethods like molecular dynamics, DSMC, lattice Boltzmann etc are being increasingly used by engineers all over and these methods require knowledge of kinetic theory and statistical mechanics which are traditionally not taught at engineering departments. The goal of this course is to give an introduction to ideas of kinetic theory and non-equilibrium thermodynamics with a focus on developing simulation algorithms and their realizations.

During the course, students will be able to develop a lattice Boltzmann code on their own. Practical issues about implementation and performance on parallel machines will be demonstrated hands on.

Central element of the course is the completion of a lattice Boltzmann code (using the framework specifically designed for this course).

The course will also include a review of topics of current interest in various fields of fluid dynamics, such as multiphase flows, reactive flows, microflows among others.

Optionally, we offer an opportunity to complete a project of student's choice as an alternative to the oral exam. Samples of projects completed by previous students will be made available.
InhaltThe course builds upon three parts:
I Elementary kinetic theory and lattice Boltzmann simulations introduced on simple examples.
II Theoretical basis of statistical mechanics and kinetic equations.
III Lattice Boltzmann method for real-world applications.

The content of the course includes:

1. Background: Elements of statistical mechanics and kinetic theory:
Particle's distribution function, Liouville equation, entropy, ensembles; Kinetic theory: Boltzmann equation for rarefied gas, H-theorem, hydrodynamic limit and derivation of Navier-Stokes equations, Chapman-Enskog method, Grad method, boundary conditions; mean-field interactions, Vlasov equation;
Kinetic models: BGK model, generalized BGK model for mixtures, chemical reactions and other fluids.

2. Basics of the Lattice Boltzmann Method and Simulations:
Minimal kinetic models: lattice Boltzmann method for single-component fluid, discretization of velocity space, time-space discretization, boundary conditions, forcing, thermal models, mixtures.

3. Hands on:
Development of the basic lattice Boltzmann code and its validation on standard benchmarks (Taylor-Green vortex, lid-driven cavity flow etc).

4. Practical issues of LBM for fluid dynamics simulations:
Lattice Boltzmann simulations of turbulent flows;
numerical stability and accuracy.

5. Microflow:
Rarefaction effects in moderately dilute gases; Boundary conditions, exact solutions to Couette and Poiseuille flows; micro-channel simulations.

6. Advanced lattice Boltzmann methods:
Entropic lattice Boltzmann scheme, subgrid simulations at high Reynolds numbers; Boundary conditions for complex geometries.

7. Introduction to LB models beyond hydrodynamics:
Relativistic fluid dynamics; flows with phase transitions.
SkriptLecture notes on the theoretical parts of the course will be made available.
Selected original and review papers are provided for some of the lectures on advanced topics.
Handouts and basic code framework for implementation of the lattice Boltzmann models will be provided.
Voraussetzungen / BesonderesThe course addresses mainly graduate students (MSc/Ph D) but BSc students can also attend.
151-0207-00LTheory and Modeling of Reactive FlowsW4 KP3GC. E. Frouzakis, I. Mantzaras
KurzbeschreibungThe course first reviews the governing equations and combustion chemistry, setting the ground for the analysis of homogeneous gas-phase mixtures, laminar diffusion and premixed flames. Catalytic combustion and its coupling with homogeneous combustion are dealt in detail, and turbulent combustion modeling approaches are presented. Available numerical codes will be used for modeling.
LernzielTheory of combustion with numerical applications
InhaltThe analysis of realistic reactive flow systems necessitates the use of detailed computer models that can be constructed starting from first principles i.e. thermodynamics, fluid mechanics, chemical kinetics, and heat
and mass transport. In this course, the focus will be on combustion theory and modeling. The reacting flow governing equations and the combustion chemistry are firstly reviewed, setting the ground for the analysis of
homogeneous gas-phase mixtures, laminar diffusion and premixed flames. Heterogeneous (catalytic) combustion, an area of increased importance in the last years, will be dealt in detail along with its coupling with homogeneous
combustion. Finally, approaches for the modeling of turbulent combustion will be presented. Available numerical codes will be used to compute the above described phenomena. Familiarity with numerical methods for the solution of partial differential equations is expected.
SkriptHandouts
Voraussetzungen / BesonderesNEW course
252-0535-00LAdvanced Machine Learning Information W8 KP3V + 2U + 2AJ. M. Buhmann
KurzbeschreibungMachine learning algorithms provide analytical methods to search data sets for characteristic patterns. Typical tasks include the classification of data, function fitting and clustering, with applications in image and speech analysis, bioinformatics and exploratory data analysis. This course is accompanied by practical machine learning projects.
LernzielStudents will be familiarized with advanced concepts and algorithms for supervised and unsupervised learning; reinforce the statistics knowledge which is indispensible to solve modeling problems under uncertainty. Key concepts are the generalization ability of algorithms and systematic approaches to modeling and regularization. Machine learning projects will provide an opportunity to test the machine learning algorithms on real world data.
InhaltThe theory of fundamental machine learning concepts is presented in the lecture, and illustrated with relevant applications. Students can deepen their understanding by solving both pen-and-paper and programming exercises, where they implement and apply famous algorithms to real-world data.

Topics covered in the lecture include:

Fundamentals:
What is data?
Bayesian Learning
Computational learning theory

Supervised learning:
Ensembles: Bagging and Boosting
Max Margin methods
Neural networks

Unsupservised learning:
Dimensionality reduction techniques
Clustering
Mixture Models
Non-parametric density estimation
Learning Dynamical Systems
SkriptNo lecture notes, but slides will be made available on the course webpage.
LiteraturC. Bishop. Pattern Recognition and Machine Learning. Springer 2007.

R. Duda, P. Hart, and D. Stork. Pattern Classification. John Wiley &
Sons, second edition, 2001.

T. Hastie, R. Tibshirani, and J. Friedman. The Elements of Statistical
Learning: Data Mining, Inference and Prediction. Springer, 2001.

L. Wasserman. All of Statistics: A Concise Course in Statistical
Inference. Springer, 2004.
Voraussetzungen / BesonderesThe course requires solid basic knowledge in analysis, statistics and numerical methods for CSE as well as practical programming experience for solving assignments.
Students should have followed at least "Introduction to Machine Learning" or an equivalent course offered by another institution.

PhD students are required to obtain a passing grade in the course (4.0 or higher based on project and exam) to gain credit points.
636-0017-00LComputational Biology Information W6 KP3G + 2AT. Vaughan, T. Stadler
KurzbeschreibungThe aim of the course is to provide up-to-date knowledge on how we can study biological processes using genetic sequencing data. Computational algorithms extracting biological information from genetic sequence data are discussed, and statistical tools to understand this information in detail are introduced.
LernzielAttendees will learn which information is contained in genetic sequencing data and how to extract information from this data using computational tools. The main concepts introduced are:
* stochastic models in molecular evolution
* phylogenetic & phylodynamic inference
* maximum likelihood and Bayesian statistics
Attendees will apply these concepts to a number of applications yielding biological insight into:
* epidemiology
* pathogen evolution
* macroevolution of species
InhaltThe course consists of four parts. We first introduce modern genetic sequencing technology, and algorithms to obtain sequence alignments from the output of the sequencers. We then present methods for direct alignment analysis using approaches such as BLAST and GWAS. Second, we introduce mechanisms and concepts of molecular evolution, i.e. we discuss how genetic sequences change over time. Third, we employ evolutionary concepts to infer ancestral relationships between organisms based on their genetic sequences, i.e. we discuss methods to infer genealogies and phylogenies. Lastly, we introduce the field of phylodynamics, the aim of which is to understand and quantify population dynamic processes (such as transmission in epidemiology or speciation & extinction in macroevolution) based on a phylogeny. Throughout the class, the models and methods are illustrated on different datasets giving insight into the epidemiology and evolution of a range of infectious diseases (e.g. HIV, HCV, influenza, Ebola). Applications of the methods to the field of macroevolution provide insight into the evolution and ecology of different species clades. Students will be trained in the algorithms and their application both on paper and in silico as part of the exercises.
SkriptLecture slides will be available on moodle.
LiteraturThe course is not based on any of the textbooks below, but they are excellent choices as accompanying material:
* Yang, Z. 2006. Computational Molecular Evolution.
* Felsenstein, J. 2004. Inferring Phylogenies.
* Semple, C. & Steel, M. 2003. Phylogenetics.
* Drummond, A. & Bouckaert, R. 2015. Bayesian evolutionary analysis with BEAST.
Voraussetzungen / BesonderesBasic knowledge in linear algebra, analysis, and statistics will be helpful. Programming in R will be required for the project work (compulsory continuous performance assessments). We provide an R tutorial and help sessions during the first two weeks of class to learn the required skills. However, in case you do not have any previous experience with R, we strongly recommend to get familiar with R prior to the semester start. For the D-BSSE students, we highly recommend the voluntary course „Introduction to Programming“, which takes place at D-BSSE from Wednesday, September 12 to Friday, September 14, i.e. BEFORE the official semester starting date http://www.cbb.ethz.ch/news-events.html
For the Zurich-based students without R experience, we recommend the R course Link, or working through the script provided as part of this R course.
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