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Humboldt-Universität zu Berlin - Mathematisch-Naturwissen­schaft­liche Fakultät - Quantenchemie der Festkörper/ Katalyse

Invited Lectures - Joachim Sauer


Upcoming Invited Lectures

  • Structure and reactivity of metal oxide surfaces and thin films - Synergy of quantum chemistry and experiment
    GDCh-Kolloquium, Institut für Chemie neuer Materialien, Universität Osnabrück, 12.11.19
  • Ab initio prediction of barriers and reaction energies for critical steps in acidic zeolite catalysis
    ACS Meeting, Philadelphia, USA, 22.-26.03.20
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2019

  1. Structure and reactivity of metal oxide surfaces and thin films - Synergy of quantum chemistry and experiment
    Hershel and Hilda Rich Visiting Professorship in Applied Research 2019, Technion, Haifa, Israel, 5.11.19
  2. Ab initio free energy calculations for molecule-surface interactions: gas adsorption and separation in nanoporous materials
    Hershel and Hilda Rich Visiting Professorship in Applied Research 2019, Technion, Haifa, Israel, 3.11.19
  3. Structure and reactivity of two-dimensional silica and zeolites
    E-MRS Fall Meeting 2019, University of Technology Warsaw, Poland, 16. - 19.09.19.
  4. Interaction of water molecules with zeolites - Ideal Bronsted sites and beyond
    ACS Meeting "Understanding the Role of Water in Solid Acid-Base Catalysis", San Diego, USA, 28.08.19.
  5. DFT and beyond in catalysis research
    18th International Conference on Density-Functional Theory and its Applications, Alicante, Spanien, 22. - 26.07.19.
  6. Structure and Reactivity of Thin Oxide Films: Silica and Ceria
    International Symposium "Frontiers in Solid State Research", Max Planck Institute for Solid State Research, Stuttgart, 17. - 18.07.19.
  7. Ab initio Free Energy Calculations with Chemical Accuracy for Molecule-Surface Interactions
    10th Triennial Congress of the International Society for Theoretical Chemical Physics, Tromsø, Norwegen, 11. - 17.07.19.
  8. Laudatio for R. Ahlrichs: Large Molecules - Small Computers - Beautiful Minds
    9th Molecular Quantum Mechanics Conference - MQM 2019, Heidelberg, 02.07.2019.
  9. Structure and reactivity of metal oxide surfaces and thins films - Synergy of quantum chemistry and experiment
    Göttinger Physikalisches Kolloquium, Georg-August-Universität Göttingen, 17.06.2019.
  10. Katalytische C-H Aktivierung durch Metalloxide - Synergie von Quantenchemie und Experiment
    GDCh-Kolloquium, Martin-Luther-Universität Halle-Wittenberg, Halle (Saale), 12.06.2019.
  11. C-H bond activation by metal oxides - gas phase clusters compared to solid catalysts
    Robert Grasselli Foundation: Irsee VIII Symposium, Kloster Irsee, 23. - 26.05.2019.
  12. The metal oxide water interface - Quantum chemical studies compared to experiment
    ACS Spring Meeting "ACS Award in surface chemistry: Symposium in honor of Hajo Freund", Orlando, USA 02.04.2019.
  13. Computational Catalysis - Rigor and Relevance
    ACS Spring Meeting "Gabor A. Somorjai Award for Creative Research in Catalysis", Orlando, USA 02.04.2019.
  14. Ab initio prediction of proton exchange barriers for alkanes at brønsted sites of zeolite H-MFI
    ACS Spring Meeting "Elucidation of Mechnisms & Kinetics on Surfaces", Orlando, USA 31.03.2019.
  15. Atomistic understanding of supported transition metal oxide catalysts in dehydrogenation reactions
    ACS Spring Meeting "Ipatieff Price: Symposium in Honor of Ive Hermans", Orlando, USA 31.03.2019.
  16. Structure and reactivity of two-dimensional silica and zeolites
    2019 American Physical Society March meeting, Boston/MA, 04 - 08.03.2019.
  17. Ab initio free energy calculations for gas adsorption and separation in nanoporous systems
    Seminar "Highlights in Energy Research", EPFL Valais Wallis, Sion/Switzerland, 14.02.2019.
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2018

  1. Ab initio calculations with chemical accuracy for molecule - surface interactions and the performance of DFT+dispersion
    26th Intern. Conf. on Current Trends in Comput. Chem. (CCTCC), Jackson/MS, USA, 08. - 10.11.2018.
  2. Computational Catalysis – Relevance and Rigor
    Minisymposium in honor of Rudolf Zahradník on the occasion of his 90th birthday, J. Heyrovský Institute of Physical Chemistry, Prague, 26.10.2018.
  3. Structure and Reactivity of Metal Oxide Gas Phase Clusters Compared to Solid Catalysts
    Kolloquium zum 70. Geburtstag von Martin Quack, Laboratorium für Physikalische Chemie, ETH-Zürich, 02.10. 2018.
  4. The Standard Model of Computational Catalysis and Beyond
    CP-Department Seminar, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Schloss Ringberg, Ringberg, 30.09. - 05.10.2018.
  5. Computational Catalysis: The Standard Model and Beyond
    Materials Design User Group Meeting, Pittsburgh, USA, 18.-20.09.2018.
  6. Ab initio quantum chemistry for understanding active site reactivity in zeolites
    12th International Symposium on Heterogeneous Catalysis "Catalysis: a motor of economy", Sofia, Bulgaria, 26. - 29. 08. 2018.
  7. Support effects in oxide catalysis - C-H bond activation by vanadia/ceria compared to vanadia/silica
    "New Vistas in Heterogeneous Catalysis: Symposium in Honor of Robert Grasselli", ACS fall meeting, Boston, USA, 19. - 23. 08. 2018.
  8. Computational Catalysis - Relevance and Rigor
    International Symposium on Relations between Homogeneous and Heterogeneous Catalysis - ISHHC 18, Sydney, Australia, 22. - 25. 07. 2018.
  9. Computational Catalysis - Relevance and Rigor
    New Fellows Seminar, Royal Society, London, 11. - 13. 07. 2018.
  10. Was machen die Atome bei der Katalyse?
    Lecture on the occasion of receiving the honorary doctorship, Brandenburgische Technische Universität Cottbus-Senftenberg, Senftenberg, 02. 07. 2018.
  11. Structure and reactivity of metal oxide gas phase clusters compared to solid catalysts
    Konferenz "Gas Phase Model Systems for Catalysis - GPMC 2018", Ulm, 18. - 20. 06. 2018.
  12. Computational Catalysis – Rigor and Relevance
    Symposium "Computational Catalysis for Sustainable Chemistry", Tarragona, Spain, 13. - 15. 06. 2018.
  13. Band structures and periodic boundary conditions – A chemists view
    Lecture, Chemical Theory Center University of Minnesota, 18.05.2018.
  14. Ab initio free energy calculations for adsoption and reactions in nanoporous systems
    30th Annual Meeting of the Chinese Chemists in Germany, Chinese German Chemical Association, Berlin, 20. - 21. 04. 2018.
  15. Understanding Catalysis by Oxides - Theory and Experiment in Concert
    Conference on Catalysis and Surface Chemistry, 50th anniversary of the Jerzy Haber Institute of Catalysis and Surface Chemistry, Krakow, Poland, March 22, 2018.
  16. A New Mechanism for the Oxidative Coupling of Methane - Experiment and Theory in Concert
    255th ACS Meeting, New Orleans/LA, USA, March 19, 2018.
  17. Ab initio quantum chemistry for understanding active sites in zeolites
    255th ACS Meeting, New Orleans/LA, USA, March 18, 2018.
  18. Ab initio free energy calculations with chemical accuracy for molecules - surface interactions
    Special Chemistry Seminar, Caltech, Pasadena, March 8, 2018.
  19. Ab initio free energy calculations for adsorption and reactions in nanoporous systems
    Seminar at the Scuola Normale Superiore, Pisa, Italy, 11. 01. 2018.
  20. Structure and Reactivity of Metal Oxide Gas Phase Clusters Compared to Solid Catalysts
    Seminar at the Dipartimento di Chimica "Giacomo Ciamiciam", Universita' di Bologna, Italy, 09. 01. 2018.
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2017

  1. Ab initio free energies with chemical accuracy for gas adsorption and separation in metal-organic frameworks
    Seminar at Chemical Theory Center of the University of Minnesota, Minneapolis, USA, 07. 12. 2017.
  2. Understanding Catalysis by Oxides - Theory and Experiment in Concert
    Colloquium at the Romanian Catalysis Society, Centre of Catalysis and Catalystic Processes, University of Bucharest, Bucharest, Romania, 09. 11. 2017.
  3. Catalytically active sites in zeolites-quantum chemistry in concert with experiments
    Seminar at BASF, Iselin, New Jersey, USA, 06. 11. 2017.
  4. Speicherung, Separation und Aktivierung von Methan - Atomistisches Verständnis
    Kolloquium an der Brandenburgischen-Technischen Universität, Cottbus-Senftenberg, 17. 10. 2017.
  5. Computational Catalysis - Rigor and Relevance
    Materials Design Users Goup Meeting 2017, Strasbourg, France, 19. - 21. 09. 2017.
  6. Understanding Catalysis By Oxides - Theory and Experiment in Concert
    EuropaCat 2017, Florence, Italy, 27. - 31. 08. 2017.
  7. Activation of Small Molecules on Oxide Surfaces - Theory and Experiment together with H.-J. Freund, R. Horn, G. Meijer, M. Scheffler, R. Schlögl, H. Schwarz
    Symposium "Unifying Concepts in Catalysis - Status Quo and Challenges", Berlin, 12. - 14. 07. 2017.
  8. How do we know where the atoms are?
    AvH Conference "Limits of Knowledge", Kraków, Poland, 22. - 25. 06. 2017.
  9. Site heterogeneity - the example of zeolites
    Workshop "The Theory and Practice of Catalysis", Telluride Science Research Center, Telluride, USA, 10. - 14. 06. 2017.
  10. Ab initio quantum chemistry for understanding acid catalysis by zeolites
    8th International Symposium on Acid-Base Catalysis, Rio de Janeiro, Brazil, 07. - 10. 05. 2017.
  11. Different C-H Bond Activation Mechanisms on Solid Oxide Catalysts
    GDCh-Kolloquium Technische Universität Darmstadt, 02. 05. 2017.
  12. Different C-H Bond Activation Mechanisms on Solid Oxide Catalysts
    2017 Spring Symposium South West Catalysis Society, Houston University, Houston, USA, 28. 04. 2017.
  13. Support effects in oxide catalysis - C-H bond activation by vanadia/ceria comared to vanadia/silica
    Chemisty Colloquium, Houston University, Houston, USA, 27. 04. 2017.
  14. Ab initio free energy calculations for adsorption and reactions in nanoporous systems
    Department of Chemistry Seminar, Rice University, Houston, USA, 26. 04. 2017.
  15. Ab initio free energy calculations for molecule-surface interactions
    Suncat Seminar, Stanford University, Stanford, USA, 05. 04. 2017.
  16. Computational Catalysis - Rigor and relevance
    Catalytic materials from molecular insights, ACS Spring Meeting, San Francisco, USA, 02. - 06. 04. 2017.
  17. Hydroxyl groups on metal oxide surfaces and clusters
    International Symposium of the CRC 1109 "Metal Oxide - Water Systems", Erkner, 19. - 22. 02. 2017.
  18. Ab initio simulation of adsorption and reactions in nanoporous systems
    Charles University, Center of Advanced Materials, Prague, Czech Republic, 08. 02. 2017.
  19. Oxygen Defects and the Reactivity of Ceria
    33. Jahrestagung Schweizerische Arbeitsgemeinschaft Oberflächen und Grenzflächen, Fribourg, Schweiz, 26. - 27. 01. 2017.
  20. Alle Quantenchemie ist Problemlösen
    Gedenkkolloquium für Reinhart Ahlrichs, Karlsruhe, 16. 01. 2017.
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2016

  1. Computational Catalysis: Rigor and Relevance
    24th Solvay Conference on Chemistry, Brussels, Belgium, 19. - 22. 10. 2016.
  2. Different C-H Bond Activation Mechanisms on Solid Oxide Catalysts
    Chemical Engineeting and Material Science Seminar, Universtiy of Minnesota, USA, 13. 10. 2016.
  3. Different C-H Bond Activation Mechanisms on Solid Oxide Catalysts
    CBE Seminar at the University of Wisconsin-Madison, USA, 11. 10. 2016.
  4. Support Effect in Oxide Catalysis: C-H Bond Activation on Vanadia/Ceria Compared to Vanadia/Silica
    CSE-Seminar, Argonne National Laboratory, USA, 10. 10. 2016.
  5. Ab initio studies on gas adsorption and separation by metal-organic frameworks
    Ipatieff Lecture, CCSS Northwestern University, Evanston, USA, 04. 10. 2016.
  6. Different C-H Bond Activation Mechanisms on Solid Oxide Catalysts
    Physical Chemistry Seminar at the University of Illinois, Urbana-Champaign, USA, 30. 09. 2016.
  7. Ab initio quantum chemistry for understanding acid catalysis by zeolites
    UOP Research, Des Plaines, USA, 27. 09. 2016.
  8. Thirty five years of ab initio studies for understanding zeolite catalysis
    NRSC-Catalysis symposium "Mechanisms in heterogeneous catalysis", Heeze, Netherlands, 08. - 09. 09. 2016.
  9. Thirty five years of ab initio studies for understanding zeolite catalysts
    CP-Department Seminar, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Schloss Ringberg, 05. 09. 2016.
  10. Ab initio free energy calculations with chemical accuracy for molecule-surface interactions
    Conference "Theory and Applications of Computational Chemistry - TACC 2016", Seattle, USA, 28. 08. - 02. 09. 2016.
  11. Ab initio free energy calculations with chemical accuracy for molecule-surface interactions
    16th International Conference on Theoretical Aspects of Catalysis (ICTAC), Zakopane, Poland, 19. - 23. 06. 2016.
  12. What has been expected from quantum chemistry for zeolite research and what has been achieved 35 years later?
    Tagung "Materialforschung in Deutschland - Heute für morgen", Weinheim, 17. 06. 2016.
  13. Different C-H Bond Activation Mechanisms on Solid Oxide Catalysts
    70th anniversary National Institut of Chemistry, Ljubljana, Slovenia, 07. - 08. 06. 2016.
  14. Die Aufklärung der atomaren Struktur komplexer oxidischer Festkörper - Zusammenwirken von Quantenchemie und Experiment
    GDCh-Kolloquium im Ortsverband Augsburg, 30. 05. 2016.
  15. Oxygen defects and the reactivity of ceria
    International FOXSI Conference, Vienna, Austria, 23. - 25. 05. 2016.
  16. Die Reaktivität von Ceroxid und dessen Rolle in Katalysatorsystemen
    GDCh-Kolloquium am Physikalisch-Chemischen Institut der Justus-Liebig-Universität Gießen, 17. 05. 2016.
  17. Support Effect in Oxide Catalysis:C-H Bond Activation on Vanadia/Ceria Compared to Vanadia/Silica
    Francois Gault Lecture (Turkey) - 6th National Catalysis Conference, Bursa, Turkey, 27. - 30. 04. 2016.
  18. Ab intio free energy calculations with chemical accuracy for molecule-surface interactions
    9th Brazilian-German Workshop, Maresias, Brazil, 10. - 15. 04. 2016.
  19. C-H bond activation by transition metal oxides. Atomistic understanding of support effects
    Faraday Discussions, London, UK, 04. - 06. 04. 2016.
  20. C-H bond activation by transition metal oxides. Atomistic understanding of support effects
    Francois Gault Lecture (Turkey) - 49. Jahrestreffen Deutscher Katalytiker, Weimar, 16. - 18. 03. 2016.
  21. Oxidative coupling of methane: Active sites and mechanisms
    Symposium "Catalytic Materials for Methande Conversion" at the 251st ACS Spring National Meeting, 13. - 17. 03. 2016.
  22. Ab initio free energy calculations with chemical accuracy for molecule - surface interactions
    Symposium on Atomic Cluster and Surface Physics (SASP), Davos, Switzerland, 09. 02. 2016.
  23. Adsoption und Aktivierung von Molekülen in Mikroporen - Zeolithe und metallorganische Gerüstverbindungen
    GDCh-Kolloquium, Otto-von-Guericke-Universität Magdeburg, 04. 02. 2016
  24. Ab initio free energy calculations with chemical accuracy for large chemical systems
    Kolloquium zur Theoretischen Chemie, Philipps Universität Marburg, 26. 01. 2016.
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2015

  1. Speicherung, Separation und Aktivierung von Methan - Atomistisches Verständnis
    GDCh-Kolloquium, Universität Potsdam, Insitut für Chemie, 07. 12. 2015.
  2. Struktur und Reaktivität von Metalloxidclustern als Modelle für feste Katalysatoren
    GDCh-Kolloquium, Technische Universität Kaiserslautern, Fachbereich Chemie, 17. 11. 2015.
  3. How do we know where the atoms are?
    Symposium "Chemistry: The Central Science", Jerusalem, Israel, 10. 11. 2015.
  4. Molecule-Surface Interactions in Zeolite Catalysis
    GDCh-Kolloquium, Fakultät für Chemie und Mineralogie, Universität Leipzig, 05. 11. 2015.
  5. Ab initio free energy calculations with chemical accuracy for molecule-surface interactions
    Physical and Theoretical Chemistry Department, Oxford University, UK, 29. 10. 2015.
  6. Chemistry research behind the wall - and after its fall
    Oxford University German Society, Oxford, UK, 28. 10. 2015.
  7. Ab initio free energy calculations with chemical accuracy for molecule-surface interactions
    CCSS Ipatieff seminar, Northwestern University, Evanston, USA, 08. 10. 2015.
  8. Different C-H Bond Activation Mechanisms on Solid Oxide Catalysts
    Catalysis Club of Chicago, Chicago, USA, 05. 10. 2015.
  9. Molecule-surface interactions: Vibrational properties and accurate free energies
    CP-workshop, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Schloss Ringberg, 23. 09. 2015.
  10. Structure and reactivity of two-dimensional zeolites
    Workshop on Layered Materials, Trest, Czech Republic, 17. 09. 2015.
  11. Ab initio free energy predictions with chemical accuracy for molecule-surface interactions
    Conference on Physical, Theoretical and Computational Chemistry, Catania, Italy, 14. 09. 2015.
  12. Ab initio free energy predictions for gas adsorption and separation in nanoporous materials
    Foundations of Molecular Modeling and Simulation (FOMMS) conference 2015, Portland, USA, 16. 07. 2015.
  13. Microporous catalysts
    Royal Society Discussion Meeting "Catalysis improving society", London, UK, 09. 06. 2015.
  14. Ab initio free energy calculations with chemical accuracy for molecule - surface interactions
    Symposium of the Theoretical Chemistry Center, Tsinghua University, Beijing, China, 31. 05. 2015.
  15. Ab initio free energy calculations with chemical accuracy for molecule - surface interactions
    Annual Symposium, Lise Meitner Minerva Center for Computational Quantum Chemistry, Tel Aviv University, 03. 05. 2015.
  16. C-H bond activation by transition metal oxides. Atomistic understanding of support effect
    Rideal 2015 Conference, Berlin, 26. 03. 2015.
  17. Support effect in oxide catalysis: Methanol oxidation on vanadia/ceria compared to vanadia/silica
    Surface Chemistry and Catalysis on Oxides, 249th ACS Meeting, Denver USA, 23. 03. 2015
  18. Ab initio Simulation of Adsorption Isotherms for Gases and Gas Mixtures in Porous Media
    Design of Materials and Chemical Processes, 249th ACS Meeting, Denver, USA, 22. 03. 2015
  19. Ab initio free energy calculations with chemical accuracy for molecule-surface interactions
    Seminar, University of Colorado, Boulder, USA, 19. 03. 2015.
  20. Ab initio free energy calculations with chemical accuracy for molecule-surface interactions
    Comenius University, Bratislava, Slovakia, 17. 02. 2015.
  21. Storage and Activation of Methane - Atomistic Understanding from Accurate ab Inito Energies
    International Symposium on Catalytic Carbon and Hydrogen Management (ISCCHM), KAUST Catalysis Center, Thuwal, Saudi Arabia, 02. 02. 2015.
  22. Design of nanoporous materials for storage and separation of energy related small molecules: Ab initio prediction of isotherms
    3rd International Symposium on Chemistry for Energy Conversion and Storage (ChemEner2015), Berlin, 20. 01. 2015.
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2014

  1. Storage and Activation of Methane - Atomistic Understanding from Accurate ab Inito Energies
    CRC Symposium, Stockholm, 30. – 31. 10. 2014.
  2. Molecule Surface Interactions in Heterogeneous Catalysis
    Münchner Chemische Gesellschaft, TU München, 28. 10. 2014.
  3. Ab initio free energy calculations with chemical accuracy for large systems
    WATOC conference, Santiago de Chile, 05. - 10. 10. 2014.
  4. Oxygen defects and the reactivity of ceria
    CP-Workshop, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Schloss Ringberg, 18. 09. 2014
  5. Atomistic Understanding of Catalytic C-H Bond Activation - Oxidative Coupling of Methane
    Seminar at the Ohio State University, Columbus, USA, 16. 09. 2014.
  6. Atomistic Understanding of Catalytic C-H Bond Activation - Oxidative Coupling of Methane
    Tri-State Catalysis Society Symposium, Louisville, USA, 15. 09. 2014.
  7. C-H bond activation on solid oxides - mechanisms and catalysts
    Workshop “From the Chemical Bond to the Chemical Plant. Computation and Material Challendes in gas conversion technologies”, Bangalore, Indien, 27. 08. 2014.
  8. Chemical Accuracy for Molecule-Surface Interactions: Ab Initio Energies and Entropies
    Frontiers in Catalysis and Engineering Sciences Seminar, Pacific Northwest National Laboratory, Richland, USA, 15. 08. 2014.
  9. Twenty-five years of TURBO research on catalysts and catalysis
    Festkolloquium: 25 Jahre Turbomole (1989 – 2014), KIT Karlsruher Institut für Technologie, 25. 07. 2014.
  10. Oxygen defects and the reactivity of ceria
    Workshop "Cerium Dioxide in Catalysis", Udine, Italy, 11. - 14. 07. 2014.
  11. Ab initio free energy calculations with chemical accuracy for molecule - surface interactions
    6th Modeling and Design of Molecular Materials Conference 2014, Kudowa Zdrój, 29. 06. – 03. 07. 2014.
  12. Structure and reactivity of metal oxide clusters compared to solid catalysts
    Bunsen-Diskussionstagung, Ulm, 07. – 09. 04. 2014.
  13. Adsorption and Activation of Small Molecules on MgO surfaces
    Department of Chemistry IFM, University of Torino, 06. 03. 2014.
  14. Adsorption and Activation of Small Molecules on MgO surfaces
    Department of Earth and Environmental Sciences, University of Milan-Bicocca, 04. 03. 2014.
  15. Die Notwendigkeit von Höchstleistungsrechnern zur Lösung chemischer Probleme: Erfolge in der Katalyseforschung
    Wissenschaftliches Programm, Feierliche Einweihung des Hochleistungsrechnersystems „HLRN-III“, Leibniz Universität Hannover, 16. 01. 2014.
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2013

  1. Activation of CH4, O2, CO on MgO Surfaces
    Winter Event, UK Catalysis HUB, Abington, UK, 11. 12. 2013.
  2. Atomistic Understanding of Molecule-Surface Interactions
    Humboldt-Kolleg “Research-Excellence”, Sofia, Bulgarien, 06. 12. 2013.
  3. Zeolites structures and their catalytic activity – quantum chemistry in concert with experiments
    Department of Chemistry, Sofia University, Sofia, Bulgarien, 04. 12. 2013.
  4. C-H bond activation by solid oxides – mechanisms and catalysts
    PIRE-ECCI Seminar, University of California, Santa Barbara (USA), 28. 10. 2013.
  5. Oxygen defects and the properties of oxides
    CECAM Workshop „Functional Oxides“, Bremen, 16. 10. 2013.
  6. Density functional theory and beyond – What can we learn for reactions of solid surfaces with water?
    SPP Solar Fuels Summer School, Ellwangen, 09. 10. 2013.
  7. C-H bond activation by solid oxides – mechanisms and catalysts
    Special lecture, 2013 TCO Invitational Lecture Series, UOP, Chicago (USA), 04. 10. 2013.
  8. Activation of O2, CO and CH4 on Defective MgO Surfaces
    CP-Abteilungsworkshop, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Hasenwinkel, 26. 09. 2013.
  9. How do we know where the atoms are?
    Miller Institute Luncheon Lectures, University of California, Berkeley (USA), 17. 09. 2013.
  10. Chemical Accuracy for Molecule-Surface Interactions
    Head-Gordon Group Seminar, University of California, Berkeley (USA), 13. 09. 2013.
  11. Structure and reactivity of metal oxide clusters – quantum chemistry in concert with experiments
    Physical Chemistry Seminar, University of California, Berkeley (USA), 03. 09. 2013.
  12. Chemical Accuracy for Molecule-Surface Interactions
    Workshop „Intermolecular Interactions: New Challenges for ab initio Theory”, Telluride (USA), 17. 07. 2013.
  13. C-H bond activation by solid oxides mechanisms and catalysts
    Keynote-Lecture, 7th World Congress on Oxidation Catalysis, Saint Louis (USA), 10. 06. 2013.
  14. Activation of O2, CO and CH4 on Defective MgO Surfaces
    Keynote-Lecture, 23rd North American Meeting of the North American Catalysis Society, Louisville (USA), 06. 06. 2013.
  15. Quantum-mechanical modeling - Insight into the atomic details of chemical systems
    Humboldt-Conference “Chemistry and Life”, Poltava (Ukraine), 17. 05. 2013.
  16. Stability and migration barriers of small vanadium oxide clusters on the CeO2(111) surface studied by density functional theory
    Faraday Discussion 162, Berlin, 11. 04. 2013.
  17. Atomistic understanding of heterogeneous catalysis: C-H bond activation
    Konferenz „Technologie für die Zukunft“, Karlsruher Institut für Technologie (KIT), Karlsruhe, 21. 03. 2013.
  18. Storage and activation of hydrocarbons - ab initio approach
    Joint Meeting of UniCat and Northwestern University (Evanston, USA), Freie Universität zu Berlin, Berlin, 18. 03. 2013.
  19. Atomistic understanding of heterogeneous catalysis - C-H bond activation
    Institute of Chemical Research of Catalonia (ICIQ), Tarragona (Spanien), 15. 03. 2013.
  20. Storage and activation of methane - ab initio approach
    Institut für Polymerforschung Helmholtz-Zentrum, Institutionskolloquium, Teltow, 27. 02. 2013.
  21. Towards Chemical Accuracy for Molecule-Surface Interactions
    53rd Sanibel Meeting, St. Simons‘ Island, GA, 17. 02. 2013.
  22. Storage and activation of methane – ab initio approach
    University of Georgia, Athens, Coulson-Lecture, 15. 02. 2013.
  23. Atomare Strukturen von Metalloxiden niedriger Dimension – "intelligent design" oder Evolution?
    TU Ilmenau, Kolloquium Chemie/Physik, 29. 01. 2013.
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2012

  1. Storage and activation of methane – ab initio approach, Seminar, Department of Chemistry, University of Minnesota, 16. 11. 2012.
  2. Atomistic understanding of heterogeneous catalysis - C-H bond activation
    German-Russian Scientific Symposium "Chemistry Shaping the Future", Moskau, 08. 11. 2012.
  3. Atomistic understanding of heterogeneous catalysis by oxides - quantum chemistry in concert with experiment
    GDCh-Kolloquium Universität Siegen, 23. 10. 2012.
  4. C-H Bond Activation by Solid Oxides - Mechanisms and Catalyst Activity
    Workshop, Department of Chemical Physics, Fritz-Haber-Institut, Groß-Dölln, 21. 09. 2012.
  5. Selective oxidation by solid oxids - mechanisms and catalysts
    Conference "Catalysis in Organic Synthesis" 2012, Moskau, 18. 09. 2012.
  6. Molecule surface interaction energies with chemical accuracy: Hybrid QM:QM Calculations
    5-th MDMM Conference, Wroclaw, 12. 09. 2012.
  7. Selective oxidation by solid oxides - mechanisms and catalysts, Keynote Lecture,
    15th International Catalysis Conference, München, 04. 07. 2012.
  8. Towards Predictions of Energies and Free Energies for Molecule-Surface interactions with Chemical Accuracy
    ICTAC 14, Vlissingen, Netherlands, 26. 06. 2012.
  9. Storage and activation of methane – ab initio approach
    Donostia International Physics Center, San Seban"stian, 22. 05. 2012.
  10. Ab inito predictions of adsorption of small energy-relavant molecules in nanoporous materials
    German-Russian Conference on Fundamentals and Applications of Nanoscience, Freie Universität Berlin, 19. 05. 2012.
  11. Atomistic understanding of heterogeneous catalysis by oxides - quantum chemistry in concert with experiment
    Heilbronner-Hückel-Lecture, Lausanne, 20. 04. 2012.
  12. C-H bond activation by metal oxides in the gas phase and on solid surfaces
    Heilbronner-Hückel-Lecture, Fribourg, 19. 04. 2012.
  13. Zeolites and their catalytic activity - quantum chemical results
    Heilbronner-Hückel-Lecture, Basel, 18. 04. 2012.
  14. Storage and activation of methane - ab initio approach
    Heilbronner-Hückel-Lecture, Zürich, 17. 04. 2012.
  15. Ab initio modelling of solid oxid catalysts and catalytic reactions
    HPC Workshop, University College London, 29. 03. 2012.
  16. Different types of C-H bond activation by metal oxide catalysts
    243rd ACS meeting San Diego, 26. 03. 2012.
  17. C-H bond activation by different types of metal oxide catalysts
    44th Annual Polish Colloquium on Catalysis, Cracow, Poland, 14. - 15. 03. 2012.
  18. Atomistic understanding of heterogeneous catalysis by metal oxides: C-H bond activation
    Paul Ratnasamy Endowment Lecture in Catalysis, National Chemical Laboratory, Pune, Indien, 06. 03. 2012.
  19. Atomistic understanding of heterogeneous catalysis - Quantum chemistry in concert with experiment
    27th Workshop "Novel Materials and superconductors", TU Wien, Universitätssportheim Planneralm, 11. - 18. 02. 2012.
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2011

  1. Struktur und Reaktivität von Zeolithen - Quantenchemische Untersuchungen
    Kolloquium,Institute of Geological Sciences, Free Univeristy Berlin, 01.12. 2011.
  2. Storage and Activation of Methane - Ab initio Approach
    Marie Sk?odowska-Curie Symposium on Foundations of Physical Chemistry, Copernicus Center, Warszawa, Poland, 18. - 19. 11.2011.
  3. Quantenmechanische Modellierung - Einblicke in die atomaren Details komplexer chemischer Systeme
    Einweihung des Hörsaalgebäudes auf dem Campus Heide-Süd, Martin-Luther-Universität Halle-Wittenberg, 14.10.2011.
  4. Atomistic understanding of heterogeneous catalysis - Quantum chemistry in concert with experiment
    XIX Mendeleev Congress, Volgograd, Russia, 25. - 30.09.2011.
  5. Binding energies of organic molecules on different types of surfaces
    10th Central European Symposium on Theoretical Chemistry, Torun, Poland, 25. - 28.09.2011.
  6. Ab initio prediction of adsorption in metal-organic frameworks - successes and (current) limits together with K. Sillar and A. Mavrantonakis
    Nanoporous Materials Genome Center, Minnesota, 20. - 21.09.2011.
  7. Catalytically active metal oxides in different environments. Quantum chemical approach
    ISHHC XV - International Symposium on Homogenous and Heterogeneous Catalysis, Freie Universität Berlin, 11. - 16.09.2011.
  8. Occupation of Ce-f states in defective CeO2 and mixed CeO2/VO2 gas phase clusters - DFT compared to experiment
    Ninth Triennial Congress of the World Association of Theoretin"cal and Computational Chemists WATOC, Santiago de Compostela, Spain, 17. - 22.07.2011.
  9. Defect formation in ceria and its special role as support for selective oxidation catalysts
    "Theoretical Modelling of Materials" WATOC Satellite Meeting, Barcelona, Spain, 13. - 15.07.2011.
  10. Quantum Chemistry and wave function based methods
    DFT and beyond - Hands-on Tutorial Workshop 2011, Berlin, 12. - 21.07.2011.
  11. Quantum Chemistry of Oxides: Clusters, Surfaces, Catalysts
    Frontiers in InterfacE Science: Theory and Experiment (FIESTAE) - Wissenschaftliches Geburtstagssymposium Prof. Freund und Prof. Scheffler, Berlin, 29.06. - 01.07.2011.
  12. Defect formation in ceria and its special role as support for selective oxidation catalysts
    CECAM Workshop "Understanding Structure and Functions of Reducible Oxide Systems - A Challenge for Theory and Experiment", Zaragoza, Spain, 20. - 23.06.2011.
  13. Ab initio predictions of adsorptions and reactions in metal organic frameworks - successes and limits
    Heraeus-Seminar "Energy Materials by Neutrons and Synchrotron Radiation", Bad Honnef, 08. - 11.05.2011
  14. The Support effect and the chemical composition and structure space of solid oxide catalysts
    Workshop on Material Design in Chemical Compound Space, Los Angeles, USA, 02. - 06.05.2011
  15. Aktive Zentren und die Reaktivität von Zeolithkatalysatoren
    GDCh-Vortrag, Technologie- und Gründerzentrum Bitterfeld-Wolfen, 11.04.2011
  16. The support effect on vanadia catalysts for selective n"oxidation - DFT compared to experiment
    7th Brazilian/German Workshop on Applied Science, Búzios - RJ, Brazil, 03. - 08.04.2011
  17. Hydrocarbon Synthesis and Conversion by Zeolite Catalysts: Accurate Predictions by Quantum Chemistry
    Acid/Base and Zeolite Catalysis, 241st ACS Meeting and Exhibition, Anaheim, USA, 27. - 31.03.2011
  18. C-H bond activation by different types of metal oxide catalysts
    ACS Award for Creative Invention: Symposium in Honor of Jeffery Bricker, 241st ACS Meeting and Exposition, Anaheim, USA, 27. - 31.03.2011
  19. C-H Bond Activation by Oxides
    Symposium on Size Selected Clusters S3C, Davos, Switzerland, 20. - 25.03.2011
  20. Structure and reactivity of metal oxides: gas phase, clusters, thin films, single crystals and supported catalysts
    Joint International Symposium of CRC 546 and the Cluster of Excellence UniCat "Activation of Small Molecules - Gas Phase Clusters, Molecular Catalysts, Enzymes and Solid Materials", Erkner, 20.02. – 23.02.2011
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2010

  1. Structure and Reactivity of Oxides: Comparison of nanoclusters and bulk materials
    First German-Russian symposium on nanomaterials - New horizons, Moskau, Russia, 01.11. – 03.11.2010
  2. Understanding the Reactivity of Zeolite Catalysts - Quantum Chemistry and Experiments in Concert
    The Lawrence J. Schaad Lectureship in Theoretical Chemistry, Vanderbilt University, Nashville, USA, 23.09.2010
  3. n" Ab initio prediction of hydrogen storage in microporous materials
    XII Brijuni Conference "Sustainable energy sources", Brijuni Island, Croatia, 30.08. – 03.09.2010
  4. Li/MgO as Catalyst for Oxidation Coupling of Methane - What Makes It Work?
    UniCat-NWU Annual Scientific Meeting, Northwestern University, Evanston, USA, 19.08. – 20.08.2010
  5. Zeolites and metal-organic frameworks: Quantum chemical studies on adsorption and catalysis
    GDCh-Kolloquium, Stuttgart,15.07.2010
  6. Chemical accuracy for the adsorption and reaction of organic molecules on oxide surfaces ?
    13th International Conference on Theoretical Aspects of Catalysis, Matsushima Ichinobo Hotel, Japan, 21. – 25.06.2010
  7. C-H bond activitation by metal oxide catalysts: energy of hydrogenation as reactivity parameter
    Irsee V– Symposium on New Insights into Selective Heterogeneous Oxidation Catalysis, Irsee, 10.– 13.06.2010
  8. Quantenmechanische Modellierung - Einblicke in die atomaren Details chemischer Systeme
    IV. Alumni- und Graduiertentag der Fachgruppe Chemie 2010, Universität Bayreuth, 04.06.2010
  9. Ab initio prediction of isotherms for adsorption of small molecules in MOF and related materials
    CECAM Workshop "Gas separation and gas storage using porous materials", Lausanne, 17. – 19.05.2010
  10. MP2 results for the adsorption and reaction of organic molecules on oxide surfaces
    Conference "First Principles Quantum Chemistry 2010", Bad Herrenalb 14.–17.04.2010.
  11. Structure n"and reactivity of oxids - quantum mechanics and experiments in concert
    Conference "Experiments and Modelling in the Science of Polar Materials", Mansfield College, Oxford 12.–14.04.2010.
  12. Towards chemical accuracy for energy profiles in heterogeneous catalysis
    Symposium "High-level quantum chemistry meets in Lodz", TU Lodz, 30.03.2010.
  13. Interaction of hydrocarbons with and activation of C-H bonds on oxide surfaces
    239th American Chemical Society National Meeting & Exhibition, San Francisco, 21.03.2010.
  14. C-H activation by (transition) metal oxides
    Second Russian-German Seminar on Catalysis, Kloster Seeon, 15.03.2010.
  15. Selective oxidation of C-H bonds by vanadium oxides-clusters in the gas phase and supported on SiO2 and CeO2
    International Symposium on Theoretical and Computational Chemistry, MPI für Kohlenforschung Mühlheim, 02.03.2010.
  16. Adsorption of H2 and CH4: computational and experimental data
    NIS Kolloquium "MOFs: recent results and perspectives", Turin, 11.02.2010.
  17. Untersuchung der Struktur und Reaktivität fester Katalysatoren mit quantenchemischen Methoden
    Kolloquium Universität Bremen, 04.02.2010.
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2009

  1. C-H Activation by Transition Metal Oxides - from Gas Phase Clusters to Supported Catalysts
    Computational Chemistry Symposium, Lise Meitner and Fritz Haber n"Minerva Centers, Hebrew University Jerusalem, Jerusalem/Israel, 10.12.2009.
  2. Hybrid MP2:DFT Calculations for Binding and Reaction Steps in Catalysis
    International Schulich Mini-Symposium "Frontiers in Computational Chemistry. Bridging Chemistry and Biology", Technion Israel Institute of Technology, Haifa/Israel, 08.12.2009.
  3. Struktur und Reaktivität von Übergangsmetalloxiden: Von Gasphasenclustern zu Festkörperkatalysatoren
    GDCh-Kolloquium, Hannover, 26.11.2009.
  4. Transition Metal Oxides - from Gas Phase Clusters to Supported Catalysts
    GDCh- Kolloquium, Ulm, 05.11.2009.
  5. C-H Activation by Transition Metal Oxides - from Gas Phase Clusters to Supported Catalysts
    GDCh-Kolloquium, Erlangen, 29.10.2009.
  6. Quantenchemische Untersuchungen zur Struktur und Reaktivität von Zeolith-katalysa-toren und Metall-Organischen Gerüstverbindungen (MOF)
    GDCh-Kolloquium, Hamburg, 22.10.2009.
  7. Quantenmechanische Modellierung - Einblicke in die atomaren Details chemischer Systeme
    Hauptvortrag bei der Jahresversammlung 2009 der Leopoldina, Computer-modelle in der Wissenschaft - zwischen Analyse, Vorhersage und Suggestion, Halle (Saale), 02. – 04.10.2009.
  8. Adsorption and Reaction Steps in Nano-Porous Systems - Accurate Prediction by Quantum Chemistry and Molecular Statistics
    3rd International Symposium on Advanced Micro- and Mesoporous Materials, Albena Resort Varna/Bulgarien, 06. – 07.09.2009.
  9. Heterogeneous Catn"alysis Studien by Hybrid QM:QM and QM:MM Methods
    13th International Congress of Quantum Chemistry, Invited Lecture, Helsinki/Finnland, 22. – 25.06.2009.
  10. Adsorption and Reaction Steps in Nanoporous Systems - Accurate Prediction by Quantum Chemistry and Molecular Statistics
    Keynote Lecture, 21st North American Catalysis Society Meeting, San Francisco/USA, 07.06. – 09.06.2009.
  11. Adsorption and Reaction Steps in Nanoporous Systems - Accurate Prediction by Quantum Chemistry and Molecular Statistics
    Catalysis from First Principles, Wien/Österreich, 25. – 28.05.2009.
  12. Hybrid MP2:DFT and DFT+Dispersion Calculations for Molecules-Surface Interactions
    Kolos-Award-Lecture, Universität Warschau/Polen, 19.05.2009.
  13. Oxides as Catalysts - from Gas Phase Clusters to Solid Materials
    Kolos-Award-Lecture, Universität Warschau/Polen, 18.05.2009.
  14. Quantenchemische Untersuchungen zur Struktur und Reaktivität von Zeolith-katalysa-toren und Metall-Organischen Gerüstverbindungen (MOF)
    GDCh-Kolloquium, Köln, 12.05.2009.
  15. Ab Initio Prediction of Isotherms for Adsorption of Small Molecules in Metal Organic Frameworks
    Invited Speaker, BASF Ludwigshafen, 06.05.2009.
  16. Structure and Reactivity of Metal Oxide Clusters in the Gas Phase - Models for Catalyst
    Institutskolloquium, Max-Planck-Institut für Quantenoptik, Garching, 05.05.2009.
  17. Adsorption and Reaction Steps in Nanoporous Systems: Accuratn"e Predictions by Quantum Chemistry and Molecular Statistics
    Seminar Theory in Catalysis, ENS Lyon/Frankreich, 27.04.2009.
  18. Computational Studies on Metal Oxides Compared to Experiment: Surfaces, Thin Films, Interfaces
    Laboratoire de Physico-Chimie des Surfaces CNRS-ENSCP, École Nationale Supérieure de Chimie de Paris/Frankreich, 06.04.2009.
  19. Structure and Reactivity of Supported Transition Metal Oxides
    Laboratoire de Reactivite de Surface, Univ. Pierre & Marie Curie Paris/Frankreich, 16.03.2009.
  20. Quantum Mechanical Studies on Transition Metal Oxides - from Gas Phase Clusters to Solid Catalysts
    Laboratoire de Chimie Theorique, Univ. Pierre & Marie Curie Paris/Frankreich, 11.03.2009.
  21. Molecule Surface Interactions I and II
    Workshop on Theoretical Chemistry, Mariapfarr/Österreich, 16. – 20.02.2009.
  22. Structure and Reactivity of Oxides: Gas Phase Species, Surfaces, thin Films, Supported Catalysts
    International Workshop on Computation in Catalysis, Catalysis Research Center TU München, München, 07. – 09.01.2009.
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2008

  1. Structure and Reactivity of Transition Metal Oxides: From Gas Phase Clusters to Solid Catalysts
    James-Franck Symposium 2008, Jerusalem/Israel, 17.11.2008.
  2. Atomistic Simulations with Quantum Chemistry at the Nano-Scale: Adsorption and Catalytic Reactions in Nanoporousn" Systems
    1st NanoThailand Symposium 2008, Bangkok/Thailand, 6.11. – 8.11.2008
  3. Metal Oxides: Surfaces, Thin Films, Interfaces
    IBM Forum Zürich - Research, Industry Solutions Lab (ISL), Zürich/Schweiz, 30. – 31.10.2008.
  4. What did I learn from Rudolf Zahradnik? – Three short stories
    Symposium zu Ehren von Rudolf Zahradnik, Prag/Tschechien, 17.10. – 19.10.2008
  5. Thin Films and Surfaces of Metal Oxides as Supports for Catalytically Active Species: Merits and Limits of DFT
    COST-D41 Meeting, Barcelona/Spanien, 16.10. – 17.10.2008.
  6. A Theoretical Perspective on TMI Coordination and Catalysis
    Symposium in honour of Prof. R. Schoonheydt, Katholieke Universiteit Leuven/Belgien, 30.09. – 01.10.2008.
  7. Accurate Energies of Transition State Structures and Intermediates by Hybrid MP2:DFT and DFT+Disp Calculations
    Invited Lecture, WATOC 2008, Sydney/Australien, 14.09. – 19.09.2008.
  8. Structure and Reactivity of Metal Oxides: Gas Phase Clusters Compared to Solid Catalysts
    Latsis Symposium "Intramolecular Dynamics, Symmetry and Spectroscopy", ETH Zürich, Zürich/Schweiz, 06.09. – 10.09.2008.
  9. Structure and Reactivity of thin Oxide Films on Metal Substrates
    Workshop „Surface and Interfaces Processes at the Molecular Level“, Lucca/Italien, 17.08. – 23.08.2008.
  10. Quantum Mechanical Studies on Transition Metal Oxide and Zeolite Catalysts
    Current Trends in Theoretical Chemistry V, Jagiellon"nian University, Kraków/Polen, 06.07. – 10.07.2008.
  11. Heterogene Katalyse und aktive Zentren - quantenchemische Beiträge
    Mathematisch-naturwissenschaftliche Klasse der Berlin-Brandenburgischen Akademie der Wissenschaften, 04.07.2008.
  12. Hydrocarbon Reactions in Zeolites by Hybrid QM/QM and QM/MM Methods
    Modeling and Design of Molecular Materials 2008, Wroclaw University of Technology, Piechowice/Polen, 23.06. – 28.06.2008.
  13. Structure and Reactivity of Oxides: Gas Phase Species, Surfaces, Thin Films, Supported Catalysts
    5th UC Symposium on Surface Science and its Applications, California NanoSystems Institute, University of California, Santa Barbara/USA, 18.06. – 20.06.2008.
  14. Structure and Reactivity of Supported Transition Metal Oxides
    Plenary Lecture, IDECAT Conference "Concepts, Complexity and Diversity in Catalysis", Porquerolles/Frankreich, 31.05. – 5.06.2008.
  15. Accurate Energetics of Transition Structures and Intermediates by Hybrid MP2:DFT and DFT+Disp Calculations
    CECAM Workshop "Accurate Energetics of Condensed Matter with Quantum Chemistry", Lyon/Frankreich, 26.05. – 29.05.2008.
  16. Structure and Reactivity of Oxide Clusters and Thin Films in Comparison to Solid Catalysts
    Seminar at School of EPS - Chemistry, Heriot- Watt University, Edinburgh/GB, 14.05. – 15.05.2008.
  17. Structure and Reactivity of Vanadium Oxides: Gas Phase Species, Nanoclusters, Supported Catalysts
    Plenary Lecture, 6Th International Symposium on Group Five Elements, Poznan/n"PL, 07.05. – 10.05.2008.
  18. Mixed Quantum/Classical Approaches to Chemically Active Nanoporous Systems
    Fortschrittsbericht auf der 107. Hauptversammlung der Deutschen Bunsen-Gesellschaft für Physikal. Chemie, Saarbrücken, 01.05. – 03.05.2008.
  19. Elementary Steps of Hydrocarbon Reactions in Acidic Zeolites: Progress with Quantum Chemical Modelling
    Symposium Zeolite Catalysis for Green Chemistry in Synthesis of Chemicals and Fuels: 235th ACS National Meeting, New Orleans/USA, 06. – 08.04.2008.
  20. Activation of C-H Bonds by Solid Transition Metal Oxide Catalysts
    George A. Olah Award in Hydrocarbon or Petroleum Chemistry: Symposium in Honour of Israel Wachs, 235th ACS National Meeting, New Orleans/USA, 06. – 08.04.2008.
  21. Catalytic Synthesis and Conversion of Hydrocarbons - Ab initio Studies of Elementary Steps
    UCSB-MPG Workshop, Lake Arrowhead/USA, 20.02.2008.
  22. Elementary Steps of Hydrocarbon Reactions in Zeolites - Progress with Quantum Chemical Modelling
    Seminar an der University of Southern California, Chemistry Department, Los Angeles/USA, 19.02.2008.
  23. C-H-Aktivierung durch Metalloxide: Gasphasenspezies, Nanocluster, feste Katalysatoren
    GdCh-Kolloquium, Ortsverband Unterfranken, Universität Würzburg, 17.01.2008.
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2007

  1. Zeolite Modelling: Active Sites in Different Framework Structn"ures and in Different Crystallographic Positions Catalysts
    A Symposium to celebrate the 75th birthday of Sir John Meurig Thomas, Fitz-William-College, Cambridge/GB, 14. – 15.12.2007.
  2. Structure and Reactivity of Oxides and Silicates at the Atomic Level - Quantum Chemical Hybrid Approach
    NANOCEM workshop, Berlin, 4. – 5.12.2007.
  3. Insight into the Mechanism of C-H Bond Activation by Vanadium Oxide Catalysts from DFT Calculations Compared to Experiments
    "From Clusters to Catalysts – Transition Metals and Transition Metal Oxides", Symposium des SFB 546, Erkner, 28. – 31.10.2007.
  4. Treating Dispersion Effects in Extended Systems by Hybrid MP2:DFT Calculations: Hydrocarbons on Catalyst Surfaces
    Indo-German Conference "Modelling Chemical and Biological (Re)activity", Hyderabad/Indien, 26. – 29.09.2007.
  5. Structure and Reactivity of Oxide Catalysts
    43. Symposium für Theoretische Chemie, Saarbrücken, 16. – 20.09.2007.
  6. Structure and Reactivity of Oxide Clusters and Thin Films in Comparison to Solid Catalysts
    Symposium on Advanced Methods of Quantum Chemistry and Physics (SAMQCP), Torun/Polen, 02. – 06.09.2007.
  7. Treating Dispersion Effects in Extended Systems by Hybrid MP2:DFT Calculations: Organic Substrates on Catalyst Surfaces
    12. International Conference on the Applications of Density Functional Theory (DFT), Amsterdam/Niederlande, 26. – 30.08.2007.
  8. Zeolite Modelling - Active Sites in Nanoporous Environment
    Conference "Advances in the Chemistryn" and Physics of Complex Materials", University College London, London, 25. – 27.06.2007.
  9. Insight into the Mechanism of C-H Bond Activation by Vanaium Oxide Catalysts from DFT Calculations Compared to Experiments
    4. Irsee-Symposium "Selective Oxidation Catalysis", Irsee, 07. – 10.06.2007.
  10. Structure and Reactivity of Oxide Clusters and Thin Films in Comparison to Solid Catalysts
    Kolloquium der Physikalischen Chemie, ETH Zürich, Zürich/Schweiz, 22.05.2007.
  11. C-H-Aktivierung durch Übergangsmetalloxide: Gasphasenspezies, Nanocluster, feste Katalysatoren
    GDCh-Kolloquium, Ortsverband Bielefeld, 03.05.2007.
  12. Structure and Reactivity of Solid Catalysts - Quantum Chemical Approach
    Cardiff Easter Conference, Cardiff/GB, 02./03.04.2007.
  13. Structure and Reactivity of Transition Metal Oxides: From Gas Phase Clusters to Solid Catalysts
    Symposium on Size Selected Clusters, Brand/Österreich, 12. – 16.03.2007.
  14. Structure and Reactivity of Oxide Catalysts at the Nanoscale - Quantum Chemical Approach
    Thomas Young Centre, University College London, London/GB, 02.02.2007.
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2006

  1. Structure and Reactivity of Solid Catalysts - Quantum Chemical Approach
    National Nanotechnology Center (NANOTEC), Bangkok/Thailand, 20.11.2006.
  2. Hybrid QM/MM and Qn"M/QM Calculations on Zeolite and Supported Oxide Catalysts
    1. Innovative Modeling Technology Consortium Meeting and Seminar, Scienomics, Paris/Frankreich, 06. – 07.11.2006.
  3. Structure and Reactivity of Metal Oxides: Small Gas Phase Species, Nanoclusters, Solid Catalysts
    International Conference of Computational Methods in Sciences and Engineering (ICCMSE), Chania (Kreta)/Griechenland, 27.10. – 01.11.2006.
  4. Treating Dispersion Effects in Extended Systems by Hybrid MP2: DFT Calculations: Hydrocarbons on Catalyst Surfaces
    Central European Symposium on Theoretical Chemistry (CESTC), Zakopane/Polen, 24. – 27.09.2006.
  5. Treating Dispersion Effects in Extended Systems by Hybrid MP2:DFT Calculations: Hydrocarbons on Catalyst Surfaces
    Workshop "Modelling and Design of Molecular Materials", University of Technology, Wroclaw/Polen, 10. – 15.09.2006.
  6. Treating Dispersion Effects in Extended Systems by Hybrid MP2:DFT Calculations: Protonation of Hydrocarbons in Zeolites
    Workshop "Catalysis from First Principles", Lyon, 11. – 14.09.2006.
  7. Structure and Reactivity of Solid Catalysts - Quantum Chemical Approach
    5th Tokyo Conference on Advanced Catalytic Science & Technology (TOCAT5), Tokio/Japan, 23. – 28.07.2006.
  8. Treating Dispersion Effects in Extended Systems by Hybrid MP2:DFT Calculations: Protonation of Hydrocarbons in Zeolites
    3rd Humboldt Conference on Computational Chemistry, Varna/Bulgarien, 24. – 28.06.2006.
  9. Structure and Reactivity of Metal On"xides: Small Gas Phase Species, Nanoclusters, Solid Catalysts
    GDCh-Kolloquium, Ortsverband Oldenburg, 22.06.2006.
  10. Oxides of Different Shape and Size: Clusters, Thin Films, Solid Catalysts
    Inauguration Workshop of MPG-CAS Partner Group "First-Principles Theory of High-Pressure Oxidation Catalysis", Dalian/China, 01. – 03.06.2006.
  11. Structure and Reactivity of Supported Transition Metal Oxide Catalysts – Quantum Chemical Contributions
    University College London, 23.05.2006.
  12. Structure and Reactivity of Transition Metal Oxides: From Small Gas Phase Species to Nanoclusters and Solid Catalysts
    Satellite Symposium of ICQC2006 "Large Molecular Systems", Institute for Molecular Science (IMS), Okazaki/Japan, 18. – 19.05.2006.
  13. C-H-Aktivierung durch Übergangsmetalloxide: Gasphasenspezies, Nanocluster, feste Katalysatoren
    GDCh-Kolloquium, Ortsverband Chemnitz, 27.04.2006.
  14. Structure and Reactivity of Transition Metal Oxides: From Gas Phase Clusters to Solid Catalysts
    Seminar der Abteilung Molekülphysik, Fritz-Haber-Institut der MPG, Berlin-Dahlem, 31.03.2006.
  15. Structure and Reactivity of Solid Catalysts - Quantum Chemical Contributions
    Netherlands’ Catalysis and Chemistry Conference (NCCC-VII), Noordwijkerhout/NL, 06. – 08.03.2006.
  16. Structure and Reactivity of Transition-Metal Oxides: From Small Gas Phase Species to Nanoclusters and Solid Catalysts
    2nd Århus Winter Meeting "Modern Trends in Chemistry", Århus/Dänemark, 20.01.2006. n"
  17. Structure and Reactivity of Transition-Metal Oxides: From Small Gas Phase Species to Nanoclusters and Solid Catalysts
    Universität Uppsala, Institut für Materialchemie, Uppsala/Schweden, 19.01.2006.
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2005

  1. Hydrogen Bonds and Proton Transfer in Solid Catalysts and in Gas Phase Clusters
    Graduiertenkolleg 788 "Wasserstoffbrücken und Wasserstofftransfer", FU Berlin, 09.11.2005.
  2. Quantenchemische Untersuchungen zur katalytischen Funktion fester Säuren
    GDCh – Ortsverband Braunschweig, 31.10.2005.
  3. Computersimulation mit Ab initio-Methoden: Gasphasenspezies, Nanocluster, feste Katalysatoren
    Symposium der Dt. Bunsengesellschaft bei GDCH-Jahrestagung, Düsseldorf, 11. – 14.09.2005.
  4. Supported Thin Films and Clusters of Transition Metal Oxides - DFT Calculations on Structure and Reactivity
    Workshop der Abt. Chemische Physik des Fritz-Haber-Institutes der MPG "Nanoparticles an Oxide Surfaces", Ringberg, 04. – 09.09.2005.
  5. Protonated Water Clusters in Different Crystalline Environments Compared to the Gas Phase: Quantum Chemical Studies of Structures and Vibrational Spectra
    XVIth Conference on Horizons in Hydrogen Bond Research, Roskilde/Dänemark, 30.08. – 04.09.2005.
  6. Structure and Reactivity of Transition Metal Oxides: From Small Gas Phase Species to Nanoclusters and Solid Catalysts
    SFB 569 "Hierarchischn"e Strukturbildung und Funktion Organisch-Anorganischer Nanosysteme", Universität Ulm, 21.06.2005.
  7. Oxygen Vacancies in Vanadium Oxide Catalysts: Bulk Materials, Thin Films, Clusters
    Symposium "Selective Oxidation Catalysis", Irsee, 10./11.06.2005.
  8. Die Schicksale des Atoms - von Ostwald zur modernen Quantenchemie
    Wilhelm-Ostwald-Gesellschaft, Großbothen, 04.06.2005.
  9. Structure and Reactivity of Transition-Metal Oxides: From Small Gas Phase Species to Nanoclusters and Solid Catalysts
    Scientific Symposia "Science and Art in Europe": Catalysis: Nanotechnology with a Past, Fritz-Haber-Institut der MPG, Berlin, 22. – 24.05.2005.
  10. Computational Studies of Hydrocarbon Reactions in Zeolites: Transition State Shape Selectivity
    Workshop "The Active Site: From Catalyst to Reactor", KU Leuven, Brüssel/Belgien, 19./20.05.2005.
  11. Übergangsmetalloxide: Gasphasencluster als Modelle für feste Katalysatoren
    GDCh – Ortsverband Kiel, 12.05.2005.
  12. Computational Chemistry: Struktur und Reaktivität fester Katalysatoren
    Kolloquium "Computational Chemistry", Rechenzentrum Universität Düsseldorf, 28.04.2005.
  13. Structure and Reactivity of Transition-Metal Oxides: From Small Gas Phase Species to Nanoclusters and Solid Catalysts
    International Karlsruhe Nanoscience Workshop "Computational Tools for Molecules, Clusters and Nanostructures" in Honour of Reinhart Ahlrichs, Forschungszentrum Karlsruhe, 23. – 26.01.2005.
  14. Oxidative Den"hydrogenation of Propane and Methanol on Vanadium Oxide Based Catalysts
    7th World Congress of the World Association of Theoretically Oriented Chemists (WATOC-05) "Modelling Structure and Reactivity", Kapstadt/Südafrika, 16. – 21.01.2005.
  15. Supported Vanadium Oxides: Clusters, Films and Bulk Surfaces
    4th International Workshop on Oxide Surfaces (IWOX-4), Universität Turin/Italien und Centre Paul Langevin, Aussois/Frankreich, 04.– 08.01.2005.
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