Suchergebnis: Katalogdaten im Herbstsemester 2018

Chemie Master Information
Master-Studium (Studienreglement 2018)
Wahlfächer
Anorganische Chemie
NummerTitelTypECTSUmfangDozierende
529-0143-01LInorganic and Organometallic PolymersW6 KP3GH. Grützmacher, J. Grützmacher
Kurzbeschreibung1. Introduction: What are Inorganic Polymers
1.1. Classification, 1.2. Nomenclature, 1.3. Synthetic Strategies, 1.4. Characterisation
2. Polyphosphazenes
3. Polysiloxanes
4. Organometallic Polymers
5. Dendritic Molecules
6. Introduction to Inorganic Materials
LernzielUnderstanding of the current literature in the field of inorganic polymers and materials.
SkriptA manuscript will be distributed to the participants of the course.
LiteraturScript and recent orginal literature indicated in the course.
Voraussetzungen / BesonderesBasis for the understanding of this lecture are the courses Allgemeine Chemie 1&2, Anorganische Chemie 1: Übergangsmetallchemie (Dozent Mezzetti).
Organische Chemie
NummerTitelTypECTSUmfangDozierende
529-0243-01LTransition Metal Catalysis: From Mechanisms to Applications Information W6 KP3GB. Morandi
KurzbeschreibungDetailed discussion of selected modern transition metal catalyzed reactions from a synthetic and mechanistic viewpoint
LernzielUnderstanding and critical evaluation of current research in transition metal catalysis. Design of mechanistic experiments to elucidate reaction mechanisms. Synthetic relevance of transition metal catalysis. Students will also learn about writing an original research proposal during a workshop.
InhaltDetailed discussion of selected modern transition metal catalyzed reactions from a synthetic and mechanistic viewpoint. Synthetic applications of these reactions. Introduction and application of tools for the elucidation of mechanisms. Selected examples of topics include: C-H activation, C-O activation, C-C activation, gold catalysis, redox active ligands, main group redox catalysis, frustrated Lewis pairs.
SkriptLecture slides will be provided online. A Handout summarizing important concepts in organometallic and physical organic chemistry will also be provided. Useful references and handouts will also be provided during the workshop.

Slides will be uploaded 1-2 days before each lecture on Link (password will be given during the first lecture or can be requested by email)
LiteraturPrimary literature and review articles will be cited during the course.

The following textbooks can provide useful support for the course:

- Anslyn and Dougherty, Modern Physical Organic Chemistry, 1st Ed., University Science Books.
- Crabtree R., The Organometallic Chemistry of the Transition Metals, John Wiley & Sons, Inc.
- Hartwig J., Organotransition Metal Chemistry: From Bonding to Catalysis, University Science Books.
- J. P. Collman, L. S. Hegedus, J. R. Norton, R. G. Finke, Principles and Applications of Organotransition Metal Chemistry.
Voraussetzungen / BesonderesRequired level: Courses in organic and physical chemistry of the first and second year as well as ACIII

Special requirement: each participant will have to come up with an independent research proposal to be presented orally at the end of the semester. A dedicated workshop will be organized in the middle of the semester to introduce the students to proposal writing and presentation.
529-0233-01LOrganic Synthesis: Methods and Strategies Information W6 KP3GE. M. Carreira
KurzbeschreibungThe complex relation between structural analysis, methods leading to desired transformations, and insight into reaction mechanisms is exemplified. Relations between retrosynthetic analysis of target structures, synthetic methods and their combination in a synthetic strategy.
LernzielExtension and deepening of the knowledge in organic synthesis.
InhaltBegriffe der Planung (Strategie und Taktik) der organischen Synthese, Retrosynthetische Analyse, Vertiefung der Beziehungen zwischen Struktur und Reaktivität im Zusammenhang mit der Synthese organischer Verbindungen zunehmender Komplexität. Vertiefung und Ergänzung der Kenntnisse synthetischer Methoden.
LiteraturK. C. Nicolaou, E. J. Sorensen, Classics in Total Synthesis, Wiley-VCH 1996.
K. C. Nicolaou, S. A. Snyder, Classics in Total Synthesis II, Wiley-VCH 2003.
K. C. Nicolaou, J. Chen, Classics in Total Synthesis III, Wiley-VCH 2011.
Voraussetzungen / BesonderesOC I-IV
529-0241-10LAdvanced Methods and Strategies in SynthesisW6 KP3GJ. W. Bode
KurzbeschreibungAdvanced Modern Methods and Strategies in Synthesis
LernzielKenntnis der modernen Methoden der asymmetrischen Synthese, der enantioselektiven Katalyse, und organische Reactionsmechanismus.
InhaltAktuelle Trends in Methoden für und Annäherungen an die Synthese von komplexen Naturstoffen, Pharmazeutika und biologischen Molekülen, Fragmentkopplungs- und Schutzgruppenstrategien; chemische Ligation und Biomolekülsynthese; enantioselektive Katalyse einschließlich Ligandendesign und -optimierung; Kreuzkupplungsreaktionen voraktivierter Vorstufen; C-H-Aktivierung und Oxidationen; Bausteinsynthese mit chiralen Auxilliaren und Reagenzien; neue Konzepte in der asymmetrischen Katalyse. Analyse von Schlüsselliteratur inklusive der Erkennung von Trends, bedeutenden Präzedenzfällen und neu aufkommenden Gebieten wird hervorgehoben.
Skriptwill be provided in class and online
LiteraturSuggesting Textbooks
1. Walsh and Kozlowski, Fundamentals of Asymmetric Catalysis, 1st Ed., University Science Books, 2009.
2. Anslyn and Dougherty, Modern Physical Organic Chemistry, 1st Ed., University Science Books, 2006.
Physikalische Chemie
NummerTitelTypECTSUmfangDozierende
529-0433-01LAdvanced Physical Chemistry: Statistical ThermodynamicsW6 KP3GG. Jeschke, J. Richardson
KurzbeschreibungIntroduction to statistical mechanics and thermodynamics. Prediction of thermodynamic and kinetic properties from molecular data.
LernzielIntroduction to statistical mechanics and thermodynamics. Prediction of thermodynamic and kinetic properties from molecular data.
InhaltBasics of statistical mechanics and thermodynamics of classical and quantum systems. Concept of ensembles, microcanonical and canonical ensembles, ergodic theorem. Molecular and canonical partition functions and their connection with classical thermodynamics. Quantum statistics. Translational, rotational, vibrational, electronic and nuclear spin partition functions of gases. Determination of the equilibrium constants of gas phase reactions. Description of ideal gases and ideal crystals. Lattice models, mixing entropy of polymers, and entropic elasticity.
SkriptSee homepage of the lecture.
LiteraturSee homepage of the lecture.
Voraussetzungen / BesonderesChemical Thermodynamics, Reaction Kinetics, Molecular Quantum Mechanics and Spectroscopy; Mathematical Foundations (Analysis, Combinatorial Relations, Integral and Differential Calculus)
529-0443-01LAdvanced Magnetic Resonance Information W6 KP3GB. H. Meier, M. Ernst, T. Wiegand
KurzbeschreibungThe course is for advanced students and covers selected topics from magnetic resonance spectroscopy. This year, the lecture will introduce and discuss the theoretical foundation of high-resolution solid-state NMR under magic-angle spinning.
LernzielThe aim of the course is to familiarize the students with the basic concepts of modern high-resolution solid-state NMR. Starting from the mathematical description of spin dynamics, important building blocks for multi-dimensional experiments are discussed to allow students a better understanding of modern solid-state NMR experiments. Particular emphasis is given to achiving high spectral resolution.
InhaltThe basic principles of NMR in solids will be introduced. After the discussion of basic tools to describe NMR experiments, basic methods and experiments will be discussed, e.g., magic-angle spinning, cross polarization, decoupling, and recoupling experiments. Such basic building blocks allow a tailoring of the effective Hamiltonian to the needs of the experiment. These basic building blocks can then be combined in different ways to obtain spectra that contain the desired information.
SkriptA script which covers the topics will be distributed in the lecture and will be accessible through the web page Link
529-0445-01LAdvanced Optics and SpectroscopyW6 KP3GR. Signorell, G. David
KurzbeschreibungThis course provides an introduction to the interaction of light with nano- and microparticles followed by an overview of applications of current interest. Examples range from nanoparticles for medical applications and sensing to the role of the interaction of solar radiation with aerosol particles and cloud droplets for the climate.
LernzielThe students will be introduced to the basic concepts of the interaction of light with nano- and microparticles. The combination of basic concepts with different applications will enable students to apply their knowledge to new problems in various fields where nanoscale objects play a role.
InhaltLight interacts surprisingly differently with small particles than with bulk or with gas phase materials. The first part of the course provides a basic but rigorous introduction into the interaction of light with nano- and microparticles. The emphasis is on the classical treatment of absorption and scattering of light by small particles. The strengths and limits of this conventional approach will be discussed. The second part of the course is devoted to a broad range of applications. Here topics include: Plasmon resonances in metallic systems, metallo-dielectric nanoparticles for medical applications, the use of lasers for optical trapping and characterization of single particles, vibrational excitons in dielectric nanoparticles, interaction of light with aerosol particles and cloud droplets for remote sensing applications and climate predictions, characterization of ultrafine aerosol particles by photoemission using velocity map imaging.
Skriptwill be distributed during the course
LiteraturBasics: Absorption and Scattering of Light by Small Particles, C. F. Bohren and D. R. Huffman, John Wiley & Sons, Inc.

Applications: References will be provided during the course.
Analytische Chemie
NummerTitelTypECTSUmfangDozierende
529-0043-01LAnalytical Strategy Information W6 KP3GR. Zenobi, M. Badertscher, G. Goubert, A. G. Graham, D. Günther
KurzbeschreibungSelbständige Erarbeitung von Lösungsvorschlägen für konkrete analytische Fragestellungen.
LernzielFähigkeit zur selbständigen Erarbeitung von Lösungsvorschlägen für konkrete analytische Fragestellungen.
InhaltSelbständiges Erarbeiten von Strategien zum optimalen Einsatz von chemischen, biochemischen und physikalisch-chemischen Methoden der Analytik zur Lösung vorgegebener Probleme. Zusätzlich zu den Dozenten präsentieren Experten aus Industrie und Behörden konkrete analytische Problemstellungen aus ihrem Tätigkeitsbereich.
Grundlagen der Probenahme.
Aufbau und Einsatz mikroanalytischer Systeme.
SkriptKopien der Aufgabenstellungen und Lösungsblätter werden kostenlos abgegeben
Voraussetzungen / BesonderesTeilnahmebedingungen: Besuch der Veranstaltungen
529-0051-00 "Analytische Chemie I (3. Semester)"
529-0058-00 "Analytische Chemie II (4. Semester)"
(oder äquivalent)
529-0049-00LAnalytical Methods for Characterization of Nanoparticles and Nanomaterials
Findet dieses Semester nicht statt.
W2 KP2GC. Latkoczy
KurzbeschreibungIntroduction to modern analytical methods used to fully characterize and identify nano-engineered materials and systems.
LernzielUnderstanding of analytical concepts used in nanotechnology, In-depth knowledge of most important methods used in industry and research, Introduction to selected industrial applications, Basic knowledge of production mechanisms of nano-engineered materials.
InhaltNanotechnology is the basis of many main technological innovations of the 21st century. After more than twenty years of research, nanotechnologies are now increasingly employed for commercial use: they are used in hundreds of everyday consumer products, such as cosmetics, food, automotive, electronics and medical products. Nanoparticles can contribute to stronger, lighter, cleaner, smarter, better, etc. products.
Besides these positive effects, relatively little is still known about potential health and environmental effects and risks of such small nano-sized particles. Therefore, a lot of different industry customers are forced nowadays to monitor and regulate the size and concentration of nanoparticles in their nano-enabled products.
Above and beyond these regulatory requirements, most industries employing nanoparticles need to be able to online measure nanoparticles to meet their requirements towards quality control and production efficiency. All these requirements demand new precise, accurate, fast and innovative analysis methods to fully characterize nanoparticles in real-time and during the manufacturing process.
SkriptLecture notes will be provided
Voraussetzungen / BesonderesPrerequisites: 529-0051-00 "Analytical Chemistry I (3. Semester)", 529-0058-00 "Analytical Chemistry II (4. Semester)" (or equivalent)
529-0055-00LMethoden der quantitativen Elementanalytik Belegung eingeschränkt - Details anzeigen W6 KP6SG. Schwarz, D. Bleiner
KurzbeschreibungMehrere Methoden der quantitativen Elementanalytik werden systematisch in praktischer Laborarbeit durch die Studierenden in kleinen Gruppen charakterisiert und eine konkrete analytische Fragestellung bearbeitet. Dabei gewonnene Erkenntnisse werden reflektiert, zwischen den Gruppen verglichen und daraus Lehrmaterial erstellt.
LernzielVertiefte praktische Erfahrungen mit und Vergleich von analytischen Methoden und Konzepten in selbstständiger Erarbeitung und Reflexion
InhaltElementanalytische Methoden
Biologische Chemie
NummerTitelTypECTSUmfangDozierende
529-0733-01LEnzymesW6 KP3GD. Hilvert
KurzbeschreibungVermittlung eines Überblicks über die Chemie von Enzymen, enzymkatalysierten Reaktionen, metabolischen Prozessen.
LernzielVermittlung eines Überblicks über die Chemie von Enzymen, enzymkatalysierten Reaktionen, metabolischen Prozessen.
InhaltPrinzipien der enzymatischen Katalyse, Enzymkinetiken, Mechanismen enzymkatalysierter Reaktionen (Gruppentransferreaktion, Kohlenstoff-Kohlenstoff-Bindungsknüpfungen, Eliminierungen, Isomerisierungen und Umlagerungen), Kofaktorenchemie, Enzyme in der organischen Synthese und in der Naturstoffbiosynthese, katalytische Antikörper.
SkriptA script will not be handed out.
LiteraturGeneral:
T. Bugg, An Introduction to Enzyme and Coenzyme Chemistry, Blackwell Science Ltd., Oxford, 1997.

In addition, citations from the original literature relevant to the individual lectures will be assigned weekly.
529-0735-01LChemical Aspects of BioimagingW6 KP3GP. Rivera Fuentes
KurzbeschreibungThis course will introduce basic concepts of fluorescence spectroscopy and microscopy applied to the observation of biological systems. The course will focus on the design, preparation and implementation of small-molecule and protein-based probes for biological investigations.
LernzielTo understand the basic chemical aspects of bioimaging and photoactivation in biology.
InhaltPrinciples of fluorescence spectroscopy and microscopy, fluorescent dyes and proteins, chemiluminescence, super-resolution microscopy, and fluorescent sensors.
SkriptHandouts, selected original literature, quizzes, and other materials will be provided electronically.
LiteraturJ. R. Lakowicz. Principles of Fluorescence Spectroscopy. Kluwer Academic / Plenum Publishers. 2006.

P. J. Walla. Modern Biophysical Chemistry: Detection and Analysis of Biomolecules. Wiley-VCH. 2014.

M. Chalfie; S. R. Kain (Eds.) Green Fluorescent Protein: Properties, Applications, and Protocols.
Wiley-Interscience. 2006.

R. W. Sabnis. Handbook of Fluorescent Dyes and Probes. John Wiley & Sons, Inc. 2015.

A. P. Demchenko. Introduction to Fluorescence Sensing. Springer Science. 2009.
Chemische Aspekte der Energie
NummerTitelTypECTSUmfangDozierende
151-0209-00LRenewable Energy Technologies I
Findet dieses Semester nicht statt.
Die Lerneinheiten Renewable Energy Technologies I (151-0209-00L, im HS) und Renewable Energy Technologies II (529-0191-01L, im FS) können unabhängig voneinander besucht werden.
W4 KP3GA. Steinfeld
KurzbeschreibungScenarios for world energy demand and CO2 emissions, implications for climate. Methods for the assessment of energy chains. Potential and technology of renewable energies: Biomass (heat, electricity, biofuels), solar energy (low temp. heat, solar thermal and photovoltaic electricity, solar chemistry). Wind and ocean energy, heat pumps, geothermal energy, energy from waste. CO2 sequestration.
LernzielScenarios for the development of world primary energy consumption are introduced. Students know the potential and limitations of renewable energies for reducing CO2 emissions, and their contribution towards a future sustainable energy system that respects climate protection goals.
InhaltScenarios for the development of world energy consumption, energy intensity and economic development. Energy conversion chains, primary energy sources and availability of raw materials. Methods for the assessment of energy systems, ecological balances and life cycle analysis of complete energy chains. Biomass: carbon reservoirs and the carbon cycle, energetic utilisation of biomass, agricultural production of energy carriers, biofuels. Solar energy: solar collectors, solar-thermal power stations, solar chemistry, photovoltaics, photochemistry. Wind energy, wind power stations. Ocean energy (tides, waves). Geothermal energy: heat pumps, hot steam and hot water resources, hot dry rock (HDR) technique. Energy recovery from waste. Greenhouse gas mitigation, CO2 sequestration, chemical bonding of CO2. Consequences of human energy use for ecological systems, atmosphere and climate.
SkriptLecture notes will be distributed electronically during the course.
Literatur- Kaltschmitt, M., Wiese, A., Streicher, W.: Erneuerbare Energien (Springer, 2003)

- Tester, J.W., Drake, E.M., Golay, M.W., Driscoll, M.J., Peters, W.A.: Sustainable Energy - Choosing Among Options (MIT Press, 2005)

- G. Boyle, Renewable Energy: Power for a sustainable futureOxford University Press, 3rd ed., 2012, ISBN: 978-0-19-954533-9

-V. Quaschning, Renewable Energy and Climate ChangeWiley- IEEE, 2010, ISBN: 978-0-470-74707-0, 9781119994381 (online)
Voraussetzungen / BesonderesFundamentals of chemistry, physics and thermodynamics are a prerequisite for this course.

Topics are available to carry out a Project Work (Semesterarbeit) on the contents of this course.
Chemische Kristallographie
NummerTitelTypECTSUmfangDozierende
529-0029-01LStructure DeterminationW6 KP3GM. D. Wörle, N. Trapp
KurzbeschreibungAdvanced X-ray crystal structure analysis
LernzielErweitertes Verständnis der in der Kristallstrukturanalyse angewendeten Methoden, Auswertung von Resultaten.
InhaltZusammenfassung der kristallographischen Grundbegriffe und der Prinzipien der Diffraktion. Anorganische Strukturchemie: Packungstypen, Ionenkristalle, covalente Netzwerke, intermetallische Verbindungen. Übersicht über Pulverdiffraktometrie und Anwendung der Kristallchemie in der Strukturanalyse polykristalliner Phasen. Sicheres Arbeiten mit Röntgenstrahlen, Kristallwachstum, Auswahl und Montage auf die Instrumente, Strategien der Diffraktionsmessung, Korrekturen. Lösungsmethoden des kristallographischen Phasenproblems: Pattersonfunktion, Schweratomtechnik, Fouriersynthesen, direkte Methoden. Aufstellung von Strukturmodellen und Verfeinerung, Fehlordnung, Verzwillingung, Symmetrieprobleme, Interpretation anisotroper atomarer Verschiebungsparameter. Interpretation der Resultate und deren Bedeutung für die Chemie, Kontrolle und Publikation der Resultate, kritische Diskussion publizierter Kristallstrukturdaten.
SkriptUnterlagen werden in loser Form abgegeben.
LiteraturHaupttext

(1) W. Massa, "Kristallstrukturbestimmung", 7. Auflage, 2011, Teubner.

(2) J.D. Dunitz, "X-ray Analysis and the Structure of Organic Molecules", 1995, Verlag HCA.

Zusätzliche Literatur

(3) C. Hammond, "The Basics of Crystallography and Diffraction", 2nd Ed., 2001, International Union of Crystallography Texts on Crystallography 5, Oxford University Press.

(4) J.P. Glusker, M. Lewis & M. Rossi, "Crystal Structure Analysis for Chemists and Biologists", 1994, VCH Publishers.

(5) D. Blow, "Outline of Crystallography for Biologists", 2002 Oxford University Press.

(6) D. Schwarzenbach, "Kristallographie", 2001, Springer Verlag.

(7) C. Giacovazzo, H.L. Monaco, G. Artioli, D. Viterbo, G. Ferraris, G. Gilli, G. Zanotti & M. Catti, Fundamentals of Crystallography", edited by C. Giacovazzo, 2nd Ed., 2002, International Union of Crystallography Texts on Crystallography 7, Oxford University Press.

(8) W. Clegg, A.J. Blake, R.O. Gould & P. Main, "Crystal Structure Analysis - Principles and Practice", edited by W. Clegg, 2001, International Union of Crystallography Texts on Crystallography 6, Oxford University Press.

(9) J.P. Glusker & K.N. Trueblood, "Crystal Structure Analysis - A Primer", 2nd Ed., 1985, Oxford University Press.

(10) G. H. Stout, L. H. Jensen: X-Ray Structure Determination, J. Wiley & Sons, 1989.

(11) M. M. Woolfson: X-Ray Crystallography, Cambridge University Press, 1970.
Voraussetzungen / BesonderesDie einführenden Beispiele und Strukturverfeinerungen können selbst auf Personalcomputer ausgeführt werden.

Voraussetzungen: Grundlagen der Kristallstrukturanalyse (529-0039-00L).
Chemische Technologie
NummerTitelTypECTSUmfangDozierende
636-0108-00LBiological Engineering and Biotechnology
Attention: This course was offered in previous semesters with the number: 636-0003-00L "Biological Engineering and Biotechnology". Students that already passed course 636-0003-00L cannot receive credits for course 636-0108-00L.
W4 KP3VM. Fussenegger
KurzbeschreibungBiological Engineering and Biotechnology will cover the latest biotechnological advances as well as their industrial implementation to engineer mammalian cells for use in human therapy. This lecture will provide forefront insights into key scientific aspects and the main points in industrial decision-making to bring a therapeutic from target to market.
LernzielBiological Engineering and Biotechnology will cover the latest biotechnological advances as well as their industrial implementation to engineer mammalian cells for use in human therapy. This lecture will provide forefront insights into key scientific aspects and the main points in industrial decision-making to bring a therapeutic from target to market.
Inhalt1. Insight Into The Mammalian Cell Cycle. Cycling, The Balance Between Proliferation and Cancer - Implications For Biopharmaceutical Manufacturing. 2. The Licence To Kill. Apoptosis Regulatory Networks - Engineering of Survival Pathways To Increase Robustness of Production Cell Lines. 3. Everything Under Control I. Regulated Transgene Expression in Mammalian Cells - Facts and Future. 4. Secretion Engineering. The Traffic Jam getting out of the Cell. 5. From Target To Market. An Antibody's Journey From Cell Culture to The Clinics. 6. Biology and Malign Applications. Do Life Sciences Enable the Development of Biological Weapons? 7. Functional Food. Enjoy your Meal! 8. Industrial Genomics. Getting a Systems View on Nutrition and Health - An Industrial Perspective. 9. IP Management - Food Technology. Protecting Your Knowledge For Business. 10. Biopharmaceutical Manufacturing I. Introduction to Process Development. 11. Biopharmaceutical Manufacturing II. Up- stream Development. 12. Biopharmaceutical Manufacturing III. Downstream Development. 13. Biopharmaceutical Manufacturing IV. Pharma Development.
SkriptHandout during the course.
Informatikgestützte Chemie
NummerTitelTypECTSUmfangDozierende
529-0003-01LAdvanced Quantum ChemistryW6 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
Link
5) K. H. Marti, M. Reiher, New Electron Correlation Theories for Transition Metal Chemistry, Phys. Chem. Chem. Phys. 13 (2011) 6750
Link
6) K.H. Marti, M. Reiher, The Density Matrix Renormalization Group Algorithm in Quantum Chemistry, Z. Phys. Chem. 224 (2010) 583
Link
7) E. Mátyus, J. Hutter, U. Müller-Herold, M. Reiher, On the emergence of molecular structure, Phys. Rev. A 83 2011, 052512
Link

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
529-0004-01LComputer Simulation in Chemistry, Biology and Physics Information W6 KP4GP. H. Hünenberger
KurzbeschreibungMolecular models, Force fields, Boundary conditions, Electrostatic interactions, Molecular dynamics, Analysis of trajectories, Quantum-mechanical simulation, Structure refinement, Application to real systems. Exercises: Analysis of papers on computer simulation, Molecular simulation in practice, Validation of molecular dynamics simulation.
LernzielIntroduction to computer simulation of (bio)molecular systems, development of skills to carry out and interpret computer simulations of biomolecular systems.
InhaltMolecular models, Force fields, Spatial boundary conditions, Calculation of Coulomb forces, Molecular dynamics, Analysis of trajectories, Quantum-mechanical simulation, Structure refinement, Application to real systems. Exercises: Analysis of papers on computer simulation, Molecular simulation in practice, Validation of molecular dynamics simulation.
SkriptAvailable (copies of powerpoint slides distributed before each lecture)
LiteraturSee: Link
Voraussetzungen / BesonderesSince the exercises on the computer do convey and test essentially different skills as those being conveyed during the lectures and tested at the oral exam, the results of the exercises are taken into account when evaluating the results of the exam (learning component, possible bonus of up to 0.25 points on the exam mark).

For more information about the lecture: Link
Materialwissenschaft
NummerTitelTypECTSUmfangDozierende
327-0703-00LElectron Microscopy in Material ScienceW4 KP2V + 2UK. Kunze, R. Erni, S. Gerstl, F. Gramm, A. Käch, F. Krumeich, M. Willinger
KurzbeschreibungA comprehensive understanding of the interaction of electrons with condensed matter and details on the instrumentation and methods designed to use these probes in the structural and chemical analysis of various materials.
LernzielA comprehensive understanding of the interaction of electrons with condensed matter and details on the instrumentation and methods designed to use these probes in the structural and chemical analysis of various materials.
InhaltThis course provides a general introduction into electron microscopy of organic and inorganic materials. In the first part, the basics of transmission- and scanning electron microscopy are presented. The second part includes the most important aspects of specimen preparation, imaging and image processing. In the third part, recent applications in materials science, solid state physics, structural biology, structural geology and structural chemistry will be reported.
Skriptwill be distributed in English
LiteraturGoodhew, Humphreys, Beanland: Electron Microscopy and Analysis, 3rd. Ed., CRC Press, 2000
Thomas, Gemming: Analytical Transmission Electron Microscopy - An Introduction for Operators, Springer, Berlin, 2014
Thomas, Gemming: Analytische Transmissionselektronenmikroskopie: Eine Einführung für den Praktiker, Springer, Berlin, 2013
Williams, Carter: Transmission Electron Microscopy, Plenum Press, 1996
Reimer, Kohl: Transmission Electron Microscopy, 5th Ed., Berlin, 2008
Erni: Aberration-corrected imaging in transmission electron microscopy, Imperial College Press (2010, and 2nd ed. 2015)
Umweltchemie
NummerTitelTypECTSUmfangDozierende
529-0745-01LGeneral and Environmental ToxicologyW6 KP3VM. Arand, H. Nägeli, B. B. Stieger, I. Werner
KurzbeschreibungVerständnis der Chemikalienwirkung auf biologische Systeme. Wertung der Effekte nach verschiedenen biomedizinischen Gesichtspunkten.
LernzielVerständnis der Chemikalienwirkung auf biologische Systeme. Wertung der Effekte nach verschiedenen biomedizinischen Gesichtspunkten.
InhaltDarstellung der wichtigsten Interaktionen von Fremdstoffen mit zellulären Strukturen wie Membranen, Enzymen und Nukleinsäuren. Bedeutung von Aufnahme, Verteilung, Ausscheidung und chemisch-biologischen Umwandlungsprozessen. Bedeutung von Gemischen. Darstellung wichtiger Toxizitätsmechanismen wie Immunotoxizität, Neurotoxizität, Entwicklungs- und Reproduktionstoxizität oder Gentoxizität anhand von Beispielen von Fremdstoffen und Auswirkungen auf kritische Organe.
SkriptUnterlagen werden in der Vorlesung abgegeben.
LiteraturLehrbücher in Pharmakologie und Toxikologie (vgl. Liste im Kursmaterial)
Voraussetzungen / BesonderesVoraussetzungen: Grundlagen in Säugetierbiologie, Chemie und Biochemie
Wirtschafts- und Technikmanagement
NummerTitelTypECTSUmfangDozierende
363-0389-00LTechnology and Innovation Management Information W3 KP2GS. Brusoni
KurzbeschreibungThis course focuses on the analysis of innovation as a pervasive process that cut across organizational and functional boundaries. It looks at the sources of innovation, at the tools and techniques that organizations deploy to routinely innovate, and the strategic implications of technical change.
LernzielThis course intends to enable all students to:

- understand the core concepts necessary to analyze how innovation happens

- master the most common methods and tools organizations deploy to innovate

- develop the ability to critically evaluate the innovation process, and act upon the main obstacles to innovation
InhaltThis course looks at technology and innovation management as a process. Continuously, organizations are faced with a fundamental decision: they have to allocate resources between well-known tasks that reliably generate positive results; or explore new ways of doing things, new technologies, products and services. The latter is a high risk choice. Its rewards can be high, but the chances of success are small.
How do firms organize to take these decisions? What kind of management skills are necessary to take them? What kind of tools and methods are deployed to sustain managerial decision-making in highly volatile environments? These are the central questions on which this course focuses, relying on a combination of lectures, case-based discussion, guest speakers, simulations and group work.
SkriptSlides will be available on the Moodle page
LiteraturReadings will be available on the Moodle page
Voraussetzungen / BesonderesThe course content and methods are designed for students with some background in management and/or economics
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