Markus Reiher's Talks

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03.04.17, San Francisco, DMRG: Orbital selection, dynamic correlation, and nuclear gradients, 253rd ACS National Meeting & Exposition, USA

09.03.17, Lausanne, Strong electron correlation in molecules, Physical Chemistry Seminar, EPFL, Switzerland

08.03.17, Lausanne, Interactive and Automated Exploration of Reaction Mechanisms, Ninth MARVEL Distinguished Lecture, NCCR MARVEL, EPFL, Switzerland

12.02.17, Jerusalem, Interactive and Automated Exploration of Reaction Mechanisms, Golden Symposium of the Lise Meitner Minerva Center, Hebrew University, Jerusalem, Israel

09.02.17, Jerusalem, Capabilities of the QCMaquis DMRG program in Molcas - An Overview, MOLCAS Developers Workshop, Hebrew University, Jerusalem, Israel

30.01.17, Hamburg, Quantum Chemical Exploration of Catalytic Processes, Kolloquium der Anorganischen Chemie, University of Hamburg, Germany

14.12.16, Helsinki, Density Matrix Renormalization Group in Quantum Chemistry: 3) Applications, Winter School in Theoretical Chemistry 2016, Helsinki University, Finland

13.12.16, Helsinki, Density Matrix Renormalization Group in Quantum Chemistry: 2) MPS/MPO DMRG, Winter School in Theoretical Chemistry 2016, Helsinki University, Finland

13.12.16, Helsinki, Density Matrix Renormalization Group in Quantum Chemistry: 1) First-Generation DMRG, Winter School in Theoretical Chemistry 2016, Helsinki University, Finland

30.11.16, Ludwigshafen, Computational Exploration of Complex Reaction Networks, BASF, Germany

18.11.16, Pasadena, First-quantized relativistic geminal-based many-particle quantum mechanics, Seminar on theoretical chemistry, CalTech, USA

15.11.16, Los Angeles, Extracting Chemical Information from Quantum Many-Particle Physics, Workshop III: Collective Variables in Quantum Mechanics, Institute for Pure and Applied Mathematics - IPAM, USA

14.11.16, Los Angeles, Quantum Chemical Exploration of Catalytic Processes, Physical Chemistry Seminar, UCLA, USA

08.11.16, Marseille, The Density Matrix Renormalization Group for Excited States, Excited States Bridging Scales, France

11.10.16, Dubrovnik, First-quantized relativistic geminal-based many-particle quantum mechanics, 2nd MOLIM General Meeting, Croatia

20.09.16, Cambridge, Uncertainty quantification for quantum chemical models of complex reaction networks, Reaction Rate Theory: Faraday Discussion, United Kingdom

20.07.16, Grand Forks, New Developments for the Quantum Chemical Density Matrix Renormalization Group, ISTCP 2016, North Dakota, USA

05.07.16, Brest, New Quantum Chemical Methods for Transition Metal Chemistry, ICCC 2016, France

26.06.16, Uppsala, Challenges for Quantum Chemistry, International Conference on Molecular Quantum Mechanics, MQM2016, Sweden

02.06.16, Zürich, Chemical Space and Catalysis, CECAM Workshop on Exploring Chemical Space with Machine Learning and Quantum Mechanics, ETH Zürich, Switzerland

11.05.16, Pisa, New approaches in electronic structure theory: The density matrix renormalization group, Colloquia of the Faculty of Mathematical and Natural Sciences, Scuola Normale Superiore of Pisa, Italy

31.03.16, Vienna, Current status of DMRG in Molcas, Molcas2016 ‒ Molcas Developers' Workshop 2016, Universität Wien, Austria

15.04.16, Oxford, DMRG in Quantum Chemistry: From its relation to traditional methods to n-orbital density matrices and beyond, International Workshop on Reduced Density Matrices in Quantum Physics and Role of Fermionic Exchange Symmetry, University of Oxford, U.K.

07.04.16, Strasbourg, New developments in second-generation DMRG, MCFUNEX kick-off meeting, Strong correlation in quantum chemistry, France

18.03.16, Tarragona, Exploring transition metal chemistry with new quantum chemical methods, Seminar at Institute of Chemical Research of Catalonia (ICIQ), Spain

16.09.15, Bödefeld, Tutorial: "DMRG", 2nd Joint Seminar on Purpose-Driven Quantum Chemistry, Germany

28.08.15, Göttingen, Theoretical insights into mechanistic aspects of hydrogenases (PDF, 18.2 MB), Final Symposium of the IRTG 1422, University Göttingen, Germany

26.08.15, Middelfart, The Choice of Active Space in DMRG Calculations, Open Shells, Open Questions, Denmark

20.07.15, Berlin, Vibrational Spectroscopy, FHI: Hands-on workshop density-functional theory and beyond — First-principles simulations of molecules and materials, Harnack-Haus of the Max Planck Society, Berlin, Germany

08.07.15, Berlin, New Developments in Computational Chemistry, ICIQ-UniCat Summer School on Molecular Catalysis, TU Berlin, Germany

05.07.15, Berlin, Pitfalls in Quantum Chemical Calculations You Haven’t Thought of, ICIQUniCat Summer School on Molecular Catalysis, TU Berlin, Germany

22.06.15, Aussois, The second-generation DMRG algorithm with applications, ISTPC 2015 summer school, France

22.06.15, Aussois, The traditional DMRG algorithm in quantum chemistry, ISTPC 2015 summer school, France

03.06.15, Nanjing, New Developments in the ETH Second-Generation DMRG Program, Recent Advances in Electronic Structure Theory, 15th ICQC Satellite Meeting, China  

17.02.15, Fribourg, Interactive Reactivity Exploration, University of Fribourg, Switzerland

09.12.14, Heidelberg, Interactive Reactivity Exploration, Vortragsreihe Chemie, Universität Heidelberg, Germany

21.11.14, Uppsala, DMRG for Quantum Chemistry, The Löwdin Mini Symposium, Uppsala University, Sweden

28.10.14, Zurich, Interactive Chemical Reactivity Exploration, Kolloquium des Laboratoriums für Anorganische Chemie der ETH Zurich, Switzerland

12.09.14, Houffalize, The first second-generation DMRG program for quantum chemistry (PDF, 8.6 MB), 16th ESCMQC, European Seminar on Computational Methods in Quantum Chemistry, Belgium

08.09.14, Sønderborg, How does the Density Matrix Renormalization Group work in Quantum Chemistry?, FUEST 2014, The Future of Electronic Structure Theory: Pushing Our Understanding and Limits, Denmark

03.09.14, Zurich, Haben Sie schon einmal an einem Molekül gezogen? - Die Theorie macht es möglich!, Maturandentage, ETH Zurich, Switzerland

21.08.14, Glasgow, How predictive is quantum chemistry for small molecule activation?, Modelling Molecules and Materials – M3 MGMS Meeting, University of Strathclyde, United Kingdom

13.08.14, San Francisco, How predictive is quantum chemistry for small molecule activation? Catalytic dinitrogen fixation and the degradation of [FeFe] hydrogenase by oxygen, ACS 248th National Meeting & Exposition, USA

18.07.14, Aachen, Rechnergestützte Koordinationschemie, Anorganisch-Chemisches Kolloquium, IAC Institut für Anorganische Chemie, RWTH Aachen, Germany

15.07.14, Chicago, How predictive is Quantum Chemistry for small molecule activation?, Fusion Conferences: Small Molecule Activation, USA

11.06.14, Zurich, Haben Sie schon einmal an einem Molekül gezogen? - Die Theorie macht es möglich!, Tag der offenen Laboratorien, ETH Zurich, Switzerland

05.06.14, London, Hydrogen Activation and Reactive-Oxygen-Species Production by Hydrogenases, Interface between experimental and theoretical approaches to energy-related enzyme catalysis, Thomas Young Centre, Great Britain

07.05.14, Nottingham, Studying chemical reactivity in a virtual environment, Faraday Discussion 169: Molecular Simulations and Visualization, Great Britain

15.05.14, Bern, Experiencing Chemical Reactivity adipisicing in Real-Time, Universität Bern, Anorganische, Analytische und Physikalische Chemie, Switzerland

19.02.14, Mariapfarr, 3) Some Results of Actual Quantum-Chemical DMRG Calculations (PDF, 4.4 MB), New wavefunction methods and entanglement optimizations in quantum chemistry, Workshop on Theoretical Chemistry in Mariapfarr, Austria

19.02.14, Mariapfarr, 2) Second-Generation DMRG: Matrix Product and Tensor Network States (PDF, 4.4 MB), New wavefunction methods and entanglement optimizations in quantum chemistry, Workshop on Theoretical Chemistry in Mariapfarr, Austria

19.02.14, Mariapfarr, 1) First-Generation Density Matrix Renormalization Group (DMRG) in Quantum Chemistry (PDF, 4.4 MB), New wavefunction methods and entanglement optimizations in quantum chemistry, Workshop on Theoretical Chemistry in Mariapfarr, Austria

13.02.14, Basel, Experiencing Chemical Reactivity in Real-Time, SACC Spring Meeting 'Modeling chemical reactions' University of Basel, Switzerland

04.02.14, Kaiserslautern, Electron Spin in Relativistic and Nonrelativistic Quantum Chemistry, PTC2 Colloquium and Seminar of the TRR88 3MET, Technical University Kaiserslautern, Germany

10.10.13, Münster, DMRG-facilitated Large-Active-Space Methods for Electronically Excited States in Complex Environments, Excited States and Complex Environments ESCE-2013, University of Münster, Germany

18.10.13, Basel, An Overview of Relativistic Quantum Chemistry, Physics Colloquium, University of Basel, Switzerland

11.06.13, Nashville, Quantum Chemical Calculations of Raman Optical Activity Spectra, 14th International Conference on Chiroptical Spectroscopy, TN, USA

05.06.13, Les Diablerets, Introduction to Session: Chemical Bonding from Theory-Assisted Charge Density Studies, Gordon Research Conference on Electron Distribution & Chemical Bonding, Switzerland

27.05.13, Prague, DMRG - From its theoretical foundations to applications in transition metal and bioinorganic chemistry, IOCB Theoretical Chemistry Seminars, Institute of Organic Chemistry and Biochemistry, Czech Republic

15.05.13, Zurich, Tensor Network States in Quantum Chemistry, CECAM workshop on Tensor network algorithms in computational physics and numerical analysis, ETH, Zurich

27.11.12, Boston, Inverse Quantum Chemical Approaches for Property Calculation and Design, MRS Fall Meeting 2012, USA

12.11.12, Redmond, What could quantum computers accomplish for chemical reactions?, Workshop 'Quantum Computation for Quantum Chemistry: Status, Challenges, and Prospects', Microsoft Research, USA

02.10.12, Amsterdam, The DMRG Method in Quantum Chemistry, VU Amsterdam, The Netherlands

24.09.12, Karlsruhe, Electronic particle, current, and spin densities in relativistic quantum theory, STC2012, Germany

20.09.12, Zaragoza, Spin states, spin density and local spin in DFT, CECAM workshop on spin states in biochemistry and inorganic chemistry, Spain

17.09.12, Strbske Pleso, Accurate Calculation of Spin Density Distributions, European Density Meeting ECDM6, Slovakia

13.09.12, Corrientes, Local Excat Decoupling, REHE2012, Argentina

22.08.12, Philadelphia, Haptic Quantum Chemistry, ACS Fall Meeting, USA

04.07.12, Girona, Inhibition of Hydrogenases by Oxygen, X Girona Seminar, Spain

18.06.12, Telluride, Tensor decompositions, entanglement, and other unconventional approaches to challenging problems in transition metal chemistry, Telluride, ICQC Satellite Meeting, USA

01.06.12, Palermo, New Electron Correlation Theories for Transition Metal Compounds, Malmqvist-Symposium, Electronic Structure Theory for Strongly Correlated Systems, Italy

25.05.12, Namur, The Inverse Quantum Chemical Approach to Molecular Vibrational Properties, METAMORPHOSE Méthodes Expérimentales et Théoriques , Atomes, Molécules et supRamolécules PHOtons, Spectres et Electrons, Belgium

02.04.12, Montpellier, Theory of Dinitrogen Fixation at the Schrock Catalyst, Seminar CTMM, ICG Université Montpellier, France

22.03.12, Berlin, The Inverse Quantum Chemical Approach to Molecular Vibrational Properties, Theory Seminar, Fritz Haber Institute of the Max Planck Society, Berlin, Germany

14.03.12, Zürich, New electron correlation theories for quantum mechanical studies of molecules, Kolloquium in Applied and Numerical Mathematics, Forschungsinstitut für Mathematik, ETH Zürich, Switzerland

21.02.12, St. Simons Island, New Electron Correlation Theories for Transition Metal Compounds, The 52nd Sanibel Symposium, GA, USA

14.02.12, Mariapfarr, Fundamentals of relativistic quantum chemistry, Relativistic Quantum Chemistry, Workshop on Theoretical Chemistry in Mariapfarr 2012, Austria

08.12.11, Zurich, The Inverse Quantum Chemical Approach to Molecular Vibrational Properties, Institutsseminar der Physikalischen Chemie, Universität Zürich, Switzerland 

11.10.11, Heidelberg, The Electron Density and the Finite Speed of Light - Relativistic Effects from Chemical Concepts to Spectroscopy, MOLMOD2011

21.07.11, Santiago de Compostela, New Electron Correlation Theories for Transition Metal Compounds, Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists, WATOC 2011, Spain

24.06.11, Jongny, The present and future role of computers in chemical research, Seance de Reflexion (PDF, 401 KB), Swiss Academy of Sciences SCNAT, Switzerland

22.06.11, Freiburg, The Electron Density and the Finite Speed of Light - Relativistic Effects from Chemical Concepts to Spectroscopy, Anorganisch-Chemisches Kolloquium, Universität Freiburg, Germany

19.05.11, Los Angeles, The Inverse Quantum Chemical Approach to Molecular Vibrational Properties (PDF, 8.2 MB), Workshop IV: Physical Frameworks for Sampling Chemical Compound Space, IPAM, University of Los Angeles, CA, USA

11.05.11, München, The Electron Density and the Finite Speed of Light — Relativistic Effects from Chemical Concepts to Spectroscopy, LMU München, Kolloquium Physikalische Chemie, Germany

06.01.11, Rennes, Theory of Dinitrogen Fixation at the Schrock Catalyst, CNRS-Universite de Rennes, France

13.12.10, Frankfurt, New Theoretical Approaches to Study Vibrational Spectra of Large Molecules: Localized Vibrations, Intensity Carrying Modes, Intensity-Tracking, Kolloquium des Instituts fuer Physikalische und Theoretische Chemie, Germany

24.11.10, Rehovot, Developing Quantum Chemical Tools for the Study of Catalytic Reactions, Weizmann Institute, Israel

22.11.10, Jerusalem, Developing Quantum Chemical Tools for the Study of Catalytic Reactions, The Lise Meitner Minerva Center for Computational Quantum Chemistry, Israel

21.11.10, Haifa, Developing Quantum Chemical Tools for the Study of Catalytic Reactions, Schulich Faculty of Chemistry, Technion-Israel Institute of Technology, Israel

28.10.10, Mannheim, Molecular Modelling Course organized by BASF, Mannheim, Germany

27.09.10, Beijing, The Relativistic Electron Density and Electron Correlation (PDF, 3.4 MB), REHE 2010 International Conference, China

25.09.10, Beijing, Theory of Dinitrogen Fixation at the Schrock Catalyst, China University of Mining & Technology (Beijing) and State Key Laboratory of Coal Resources & Mine Safety, China

06.08.10, Albany, New Theoretical Approaches to Study Raman Optical Activity: Localized Vibrations, Intensity Carrying Modes, Intensity-Tracking (PDF, 1.8 MB), VOA-2 – 2nd International Conference on Vibrational Optical Activity, University at Albany, USA

15.07.10, South Hadley, Definition and Calculation of Electron Densities in Relativistic Quantum Theory (PDF, 3.3 MB), GRC: Electron Distribution & Chemical Bonding, Mount Holyoke College, South Hadley, MA, USA

06.07.10, Nottingham, An enquiry into theoretical bioinorganic chemistry: how heuristic is the character of present-day quantum chemical methods? (PDF, 1.2 MB), Faraday Discussion 148: Spectroscopy, Theory and Mechanism in Bioinorganic Chemistry, University of Nottingham, Great Britain

01.04.10, Bad Herrenalb, New parametrizations of the electronic wave function: from DMRG to tensor network states, DFG Priority Programm SPP 1145, Symposium 2010, Germany

20.01.10, Bochum, Quantum Chemical Methods for Vibrational Spectroscopy of Functional Molecules, Theoretisch-Chemisches Kolloquium, Ruhr-Universität Bochum, Germany

23.11.09, Stockholm, Renormalization Techniques in Quantum Chemistry, Multiscale Modeling and Simulation in Science, Alba Nova University Center, Sweden

31.08.09, Brescia, Raman optical activity of chiral biomolecules: interpretation via localized vibrations, intensity carrying modes, intensity-tracking, CD 2009 – 12th International Conference on Circular Dichroism, ISBC – 5th Interdisciplinary Symposium on Biological Chirality, Italy

17.08.09, Washington, DMRG applied to compact molecules, The 238th ACS National Meeting, Washington, DC, USA

19.06.09, Heidelberg, Quantum Chemical Methods for Vibrational Spectroscopy of Functional Molecules, Organisch-Chemisches Institut, Ruprecht-Karls-Universität Heidelberg

09.06.09, Leiden, A Challenge for Theoretical Chemistry: Dinitrogen Fixation under Ambient Conditions, LIC Colloquium, Universiteit Leiden

02.06.09, Hamilton, DMRG for Spatially Non-Extended Molecules, CSC 2009, 92nd Canadian Chemistry Conference and Exhibition, Canada

05.05.09. Bonn, Eine Herausforderung für die Theorie: Stickstoff-Fixierung unter milden Bedingungen, Institut für Anorganische Chemie, GDCh-Kolloquium, Universität Bonn, Germany

24.04.09, Singapore, Quantum Chemical Methods for Vibrational Spectroscopy of Functional Molecules, Nanyang Technological University, Singapore

11.03.09, Bensberg (near Cologne), DMRG for Transition Metal Compounds, SPP 1145 Workshop 09, DFG, Recent Advances in Efficient Electron Correlation Methods

28.01.09, Berlin, Quantum Chemical Methods for Theoretical Spectroscopy of Functional Molecules, PCTC Kolloquium, FU-Berlin, Germany

15.09.08, Sydney, Recent Developments in Douglas-Kroll-Hess Theory: Molecular Properties with a Focus on Mössbauer Spectroscopy, WATOC 2008

14.07.08, Würzburg, Quantum Chemical Studies in Transition Metal Catalysis: Modelling the Thermodynamics of Schrock's Dinitrogen Fixation Cycle,  Anorganisch-Chemisches Kolloquium, Universität Würzburg, Germany

06.07.08, Krakow, The Density Matrix Renormalization Group in Chemistry, Current Trends in Theoretical Chemistry V, Poland

30.05.08, Podiumsdiskussion: Wissenschaftliche Karriere an Hochschulen versus ausseruniversitäre Einrichtungen (geleitet von H. Schwarz, mit: M. Wintermantel, W. A. Herrmann, F. Schüth, T. U. Mayer, M. Reiher), 11. Steinheimer Gespräche des Fonds der Chemischen Industrie, Rödermark, Germany

05.05.08, Augsburg, New Developments in Relativistic Quantum Chemistry,  Kolloquium Physikalisches Institut, Universität Augsburg

27.04.08, Zürich, Spektroskopische Fingerabdrücke von Molekülen - beim Treibhauseffekt und im interstellaren Raum, Treffpunkt Science City - Wissenschaft erleben, ETH Zürich

27.02.08, Lugano, New Developments in Relativistic Quantum Chemistry,  Group Seminar Prof. Dr. M. Parrinello, ETH Zürich

21.01.08, Leipzig,  Quantum Chemical Studies in Transition Metal Catalysis: Modelling the Thermodynamics of Schrock's Dinitrogen Fixation Cycle, Vorlesung im Rahmen "Modern Methods in Catalysis Research - Survey of Heterogeneous, Homogeneous and Biocatalysis",  Universität Leipzig

04.12.07, Strasbourg, The DMRG Algorithm in Quantum Chemistry, Theoretical Chemistry Seminar

09.11.07, Heidelberg, Quantum Chemical Studies in Transition Metal Catalysis: Modelling the Thermodynamics of Schrock's Dinitrogen Fixation Cycle, SFB Seminar Lecture der Universität Heidelberg

05.09.07, Torun, The density matrix renormalization group in quantum chemistry, Symposium on Advanced Methods of Quantum Chemistry and Physics SAMQCP 2007

11.06.07, Zürich, The DMRG Algorithm in Quantum Chemistry, Theory Seminar of the Physics Departments at ETH and University of Zurich

25.02.07, Kloster Banz (near Staffelstein, Bavaria), On the Nature and Origin of Ligand-induced Charge Concentrations: The Key for Controlling C-H Activation Processes in Electron-Rich Transition Metal complexes, 2nd Proposal Colloquium SPP 1178, DFG

06.01.07, Zürich, Relativistic Quantum Chemistry - Quo Vadis, C4 Workshop 2006, ETH-Zürich

16.11.06, Dresden, DMRG: A new approach to the electron correlation problem in quantum chemistry, Max-Planck-Institut für die Physik komplexer Systeme

31.10.06, Chania, Quantum chemical methods for the vibrational spectroscopy of large molecules, ICCMSE 2006

30.10.06, Chania, On the calculation of properties in the Douglas-Kroll-Hess framework, ICCMSE 2006

26.10.06, Zurich, Von der Natur lernen: Theorie der Stickstoff-Fixierung unter milden Bedingungen, Einführungsvorlesung ETH Zurich

27.09.06, Lund, Calculation of first-order properties within the arbitrary-order
Douglas–Kroll framework, Theoretical Chemistry Seminar, Lund University,
Sweden

04.09.06, Manchester, On the definition of local spin in relativistic and nonrelativistic quantum chemistry, Faraday Discussion 135: Chemical Concepts from Quantum Mechanics, University of Manchester, Manchester

10.07.06, Heidelberg, Quantenchemische Konzepte und Methoden in der theoretischen Übergangsmetallchemie, Kolloquium at University Heidelberg, Heidelberg

01.06.06, Zurich, Algorithms in Quantum Chemistry, Fallstudien im Studiengang
RW, ETH Zürich

23.05.06, Zurich, Axial and Local Chirality in Raman Optical Activity Spectra, Physikalisch-Chemisches Kolloquium at ETH

13.04.06, Giessen, Theoretical Transition Metal Chemistry: In need of accurate quantum chemical methods and reliable qualitative interpretations, an International Symposium in Honor of Gernot Frenking on the Occasion of his 60th Birthday

05.04.06, ETH Zurich, Calculation of first-order properties within the arbitrary-order DKH framework, Seminar of the Quantum Chemistry Groups in Zurich

21.03.06, Milan, Theory for Chemistry: Development of new quantum chemical methods for the study of molecular systems, Seminar of the Quantum Chemistry Group at the University Milan-Bicocca

09.03.06, Fribourg, Calculation of first-order properties within the arbitrary-order Douglas—Kroll framework, Swiss Association of Computational Chemistry (SACC) Spring Meeting 2006

03.03.06, Vienna, The Quantum Chemistry View on Relativistic Many-Particle Physics, Meeting of the EU-Network "Analysis of Large Quantum Systems", Erwin-Schrodinger-Institut for Mathematical Physics

02.11.05, Potsdam, Infinite-Order Douglas-Kroll-Hess Theory, Seminar des AK Saalfrank

21.10.05, Munich, Infinite-Order Douglas-Kroll-Hess Theory, Oberseminar Analysis (AK Siedentop), LMU Munich

05.10.05, Jena, Relativity in chemistry - From theory to quantitative understanding of relativistic effects on chemical bonding, XIV. Krakow-Jena Symposium on Physical Chemistry

22.09.05, Smolenice/Bratislava, Infinite-Order Douglas-Kroll-Hess Theory, 13th European Seminar on Computational Methods in Quantum Chemistry, Slovakia

12.09.05, Dusseldorf, On the Calculation of Vibrational Raman Optical Activity (VROA) Spectra, GDCh-Jahrestagung 2005

05.07.05, Bonn, Convergence Characteristics of Quantum Chemical DMRG calculations, SPP 1145 ``Modern First-Principles Methods'' Berichtskolloquium

24.05.05 Zurich, Theory for Chemistry: Development of new quantum chemical methods for the study of molecular systems, Minisymposium on Theoretical Chemistry at ETH

16.04.05, Heyda, Neue quantenmechanische Verfahren fuer das Studium metallvermittelter Reaktionen, SFB-436-Meeting

07.04.05, Muelheim, Infinite-Order Douglas-Kroll-Hess Theory, REHE 2005 - International Conference on Relativistic Effects in Heavy Element Chemistry and Physic, Germany

18.01.05, Bonn, Theorie fuer die Chemie: Entwicklung neuer quantenchemischer Verfahren fuer das Studium molekularer Systeme, Vorstellungsvortrag W3-Professur fuer Theoretische Chemie

10.12.04, Koeln, The Infinite-Order Douglas—Kroll—Hess Method, Theoretische Chemie Seminar

02.12.04, Geneva, Theory for Chemistry: Development of new quantum chemical methods for the study of molecular systems, application for vacant position "Professor in Computational Chemistry"

30.11.04, Bochum, Theorie fuer die Chemie: Entwicklung neuer quantenchemischer Verfahren fuer das Studium molekularer Systeme, Vorstellungsvortrag C3-Professur fuer Theoretische Chemie

11.11.04, Groningen, Theory for Chemistry: Development of new quantum chemical methods for the study of molecular systems, application for vacant position "Professor in Theoretical Chemistry"

05.11.04, Berlin, Quantenchemische Studien zur direkten und templatgesteuerten N2-Aktivierung durch Uebergangsmetallkomplexe, Graduiertenkolleg "Synthetische, mechanistische und reaktionstechnische Aspekte von Metallkatalysatoren"

12.10.04, Lauterbad, Theoretical studies on direct and templated N2 activation by transition metal complexes, Joint Workshop mit den SFBs 626, 583, 623 und 436

01.10.04, Frankfurt, Computerchemie fuer Uebergangsmetallkomplexe, Vorstellungsvortrag C3/W3-Professur fuer Computational Chemistry

24.07.04, Cambridge/UK, On the exact decoupling of the Dirac Hamiltonian, ESF/HAMEC meeting, Cambridge University, England

15.06.04, Jena, Theorie fuer die Chemie: Entwicklung neuer quantenchemischer Verfahren fuer das Studium molekularer Systeme, Vorstellungsvortrag C3-Professur fuer Computational Chemistry

25.03.04, Erlangen, The bottom-up approach in theoretical bioinorganic chemistry, Biocatalysis-Workshop der DFG

18.03.04, Reinhardswaldschule, Theoretical methods for the efficient calculation of molecular vibrations, 3rd Workshop on Spectroscopy and Dynamics of Molecular Coils and Aggregates, Universitaet Goettingen

08.03.04, Dortmund, Gezielte Berechnung vorselektierter Schwingungen: Informationsgewinn durch Komplexitaetsreduktion, Chemiedozententagung, ADUC-Vortrag, Universitaet Dortmund

19/12/03, Bonn, Stickstoff-Fixierung unter milden Bedingungen: Beitraege der Theoretischen Chemie, Antrittsvorlesung, Universitaet Bonn

11/12/03, Bonn, Einfuehrung zum Problem der Biologischen Stickstoffixierung, Nitrogenase-Seminar der Theoretischen Chemie, Universitaet Bonn

04/12/03, Karlsruhe, Exakte Entkopplung des Dirac-Hamilton-Operators, Theoretische Chemie Seminar, Universitaet Karlsruhe

02/12/03, Marburg, Mode-Tracking: A new method for the calculation of pre-selected molecular vibrations, Theoretische Chemie Seminar, Universitaet Marburg

31.10.03, Bonn, Mode-Tracking — eine neue Methode zur Berechnung vorselektierter molekularer Schwingungen in großen Systemen, Theoretische Chemie Seminar, Universität Bonn

02/10/03, Gwatt, Mode-Tracking: A new method for the calculation of pre-selected molecular vibrations, Symposium for Theoretical Chemistry STC2003, Switzerland

09/09/03, New York City, Energy splittings of different spin states: a challenge for modern quantum chemical methods in transition metal chemistry, 226th ACS National Meeting

29/07/03, Berlin, Higher-orders in the Douglas-Kroll transformation, REHE 2003 conference

21/07/03, Bielefeld, Density Functional Theory for Structures, Energetics, and Spectroscopy of Transition Metal Complexes, Workshop of the Graduate School of Chemistry and Biochemistry

09/07/03, Zurich, The Generalised Douglas-Kroll Transformation, Theoretical Chemistry Seminar, University of Zurich

03/07/03, Munich, Quantenchemische Berechnungen mit Turbomole, Workshop Hochleistungsrechnen in Chemie und Biowissenschaften, Leibniz-Rechenzentrum München

21/05/03, Erlangen, Chiralitaet in der Chemie, Habilitationsvortrag

28/03/03, Erlangen, DFT calculations on transition metal complexes: prospects and obstacles, SFB-Symposium on Redoxactive Metal Complexes - Control of Reactivity via Molecular Architecture

17/03/03, Chemnitz, Gezieltes Aufstoebern relevanter Schwingungen: Wie man irrelevante Informationen erst gar nicht berechnet, Chemie-Dozententagung 2003

06/02/03, Düsseldorf,Die verallgemeinerte Douglas-Kroll-Transformation, Workshop-Seminar Relativistische Quantentheorie

03/12/02, Erlangen, Neue Untersuchungen zum Spincrossover-Phaenomen von Fe(phen)2(NCS)2, Seminar des Graduiertenkollegs `Elektronentransfer'

12/11/02, Stuttgart,Die verallgemeinerte Douglas-Kroll-Transformation, Seminar der Theoretischen Chemie

31/10/02, Zurich, Strategies for the quantum chemical calculation of vibrational spectra of large molecules, C4 seminar, ETH Zurich

19/09/02, Zeist/Utrecht, Quantum chemical calculation of Raman spectra for large molecules, 12th European Seminar on Computational Methods in Quantum Chemistry, Netherlands

19/07/02, Clausthal, Zum Problem der biologischen Stickstoff-Fixierung: Was wir von Modellverbindungen lernen koennen, Physikalisches Kolloquium, TU Clausthal

11/03/02, Koeln, DFT fuer Übergangsmetallkomplexe: Fallstricke und wie man sie umgeht, Chemie-Dozententagung 2002

18/12/01, Berlin, Zum Mechanismus der Nitrogenase, Organisch-Chemisches Seminar, Technische Universitaet Berlin

11/12/01, Erlangen, Zum Mechanismus der N_2-Reduktion durch Nitrogenase, Physikalisch-Chemisches Kolloquium, Universitaet Erlangen

09/11/01, Zurich, On the Mechanism of Nitrogenase, Theoretical Chemistry Seminar, University of Zurich

16/10/01, Budapest, Methods for Relativistic Electronic Structure Calculations on Atoms and Molecules, Seminar of the Central Research Institute for Physics of the Hungarian Academy of Science

11/10/01, Szeged, Methods for Relativistic Electronic Structure Calculations on Atoms and Molecules, Seminar of the Theoretical Physics Department, Hungary

20/09/01, Erlangen, The Secret of DMSO-Water Mixtures, Model(l)ing 2001 Conference

25/06/01, Erlangen, Quantenchemie der Elektronenuebertragung --- (II) Modelle fuer lokalisierte und delokalisierte Ladungsuebertragungszustaende, Elektronentransfer-Seminar des Graduiertenkollegs, FAU Erlangen-Nuernberg

18/06/01, Erlangen, Quantenchemie der Elektronenuebertragung --- (I) Grundlagen, Elektronentransfer-Seminar des Graduiertenkollegs, FAU Erlangen-Nuernberg

13/02/01, Erlangen, Nitrogenase model complexes: What do they teach us?, Theoretische Chemie Seminar, FAU Erlangen-Nuernberg

24/02/00, Juelich, Relativistic Electronic-Structure Calculations for Atoms and Molecules, Winterschool on Modern Methods and Algorithms of Quantum Chemistry

13/09/99, Freiberg, Self-consistent treatment of the frequency-independent Breit interaction in atomic structure calculations, 35. Symposium for Theoretical Chemistry `99, TU Bergakademie Freiberg

03/02/99, Zurich, Die frequenzunabhaengige Breit-Wechselwirkung in numerischen MCSCF Atomstrukturrechnungen, Organische Chemie Seminar, Universitaet Zurich, Schweiz

01/02/99, Erlangen, Die frequenzunabhaengige Breit-Wechselwirkung in numerischen MCSCF Atomstrukturrechnungen, Theoretische Chemie Seminar, FAU Erlangen-Nuernberg

15/01/99, Siegen, The frequency-independent Breit interaction in numerical MCSCF atomic structure calculations, Theoretische Chemie Seminar, Universitaet-GH Siegen

15/06/98, Cambridge/UK, A new relativistic MCSCF program for atomic structure calculations, Theoretical Chemistry Seminar, Department of Chemistry, Cambridge University, England

17/06/96, Bielefeld, Geschwindigkeitsraten-Theorie: 50 Jahre nach Kramers; Teil III Kramers Theorie, Theoretische Chemie Seminar, Universitaet Bielefeld

11/94, Bielefeld, DFTA - Ein Program fuer numerische Dichtefunktionalrechnungen an Atomen, Theoretische Chemie Seminar, Universitaet Bielefeld

 
 
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21.06.2017
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