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Previous seminars:
2024, Jun. 18 | Dr. Dennis Svatunek | TU Wien, Austria | Understanding Potential Energy Surfaces through Multi-Dimensional Energy Decomposition Analysis |
2024, May 28 | Prof. Dr. Jonny Proppe | TU Braunschweig, Germany | Uncertainty Quantification and Real-Time Prediction of Organic Reactivity |
2024, Apr. 30 | Prof. Dr. Oriol Vendrell | Heidelberg University, Germany | Quantum Dynamics of Highly Correlated Systems: Methods and Applications |
2024, Feb. 6 | Dr. Benjamin Helmich-Paris | Max-Planck-Institut für Kohlenforschung, Mülheim an der Ruhr, Germany |
Excited states of transition-metal complexes with multi-reference linear response methods |
2024, Jan. 30 | Assoc. Prof. Dr. Susmita De | University of Calicut, India | Enzymatic Depolymerization – Towards a Sustainable Future for Plastic |
2023, Dec. 6 | Prof. Anna Krylov | University of Southern California, USA | Molecular orbitals: Physical reality or mathematical construct? (Hellmann Lecture with GDCh) |
2023, Dec. 5 | Prof. Anna Krylov | University of Southern California, USA | Water: A perpetual challenge for theory |
2023, Nov. 28 | Prof. Stefan Wippermann | Philipps-University of Marburg, Germany | Emerging concepts to simulate reactions at electrified liquid/solid interfaces |
2023, Nov. 21 | Prof. Andreas Klamt | MrCOSMO Consulting, Waldburg, Germany | COSMO, COSMO-RS, COSMOplex – An attempt of an overview regarding theory and applications range of these solvation models |
2023, Jul. 11 | Prof. Reinhard Noack | Philipps-University of Marburg, Germany | Density matrix renormalization group with mode transformations for quantum chemistry, condensed matter physics, and more |
2023, Jul. 4 | Dr. Annika Bande | Helmholtz-Zentrum Berlin, Germany | Artificial spectroscopy |
2023, Jun. 13 | Dr. Florian Bischoff | Humboldt-University Berlin, Germany | Computing molecular properties in real space |
2023, May 30 | Dr. Daniel Kats | Max Planck Institute for Solid State Research, Stuttgart, Germany | Coupled cluster methods for strongly correlated systems |
2023, May 3 | Prof. Leticia González | University of Vienna, Austria | Simulating Photochemistry: Challenges and Opportunities (jointly with GDCh) |
2023, Apr. 25 | Dr. Johannes Margraf | Fritz Haber Institute of the Max Planck Society, Berlin, Germany | Science-Driven Chemical Machine Learning |
2023, Mar. 17 | Prof. Josef Michl | University of Colorado Boulder, United States | Porphene, an Antiaromatic Analog of Graphene (jointly with SFB 1083) |
2023, Jan. 31 | Prof. Patrick Bultinck | University of Ghent, Belgium | The Ghent zoo of unconventional ab initio methods |
2023, Jan. 17 | Prof. Hilke Bahmann | University of Wuppertal, Germany | Flexible hybrid density functionals for the electronic structure at interfaces |
2023, Jan. 12 | Prof. Peter Schwerdtfeger | Centre for Theoretical Chemistry and Physics The New Zealand Institute for Advanced Study Massey University Auckland, New Zealand | From Lennard-Jones to Max Born, Erwin Madelung, Adolf Hurwitz, and Paul Epstein: A Mathematical Journey through Lattices, Lattice Sums and Phase Transitions |
2023, Jan. 11 | Prof. Peter Schwerdtfeger | Centre for Theoretical Chemistry and Physics The New Zealand Institute for Advanced Study Massey University Auckland, New Zealand | When gold meets relativity (Hellmann Lecture with GDCh) |
2022, Dec. 21 | Prof. Dr. Sergey I. Bokarev | TU Munich, Germany | Spectroscopy and Dynamics of molecules in highly-excited states |
2022, Dec. 7 | Prof. Dr. Barbara Kirchner | University of Bonn, Germany | How large are uncertainties in computational chemistry? (TCK with GDCh) |
2022, Nov. 22 | Dr. Elke Fasshauer | University of Tübingen, Germany | How (not) to measure lifetimes of electronic decay processes |
2022, Jun. 14 | Dr. Philipp Harbach | Merck KGaA, Darmstadt, Germany | Digitizing Chemistry |
2022, May 31 | Prof. Martin Rahm | Chalmers University Gothenburg, Sweden | A Different Take on Atomic Charge, Energy and Electronegativity |
2022, May 24 | Dr. Martin Brehm | Martin‑Luther‑University Halle‑Wittenberg, Germany | Computing Bulk Phase Vibrational Spectra from ab initio Molecular Dynamics Simulations |
2022, May 18 | Prof. Oliver Kühn Prof. Johannes Kästner Prof. Bernd Engels Prof. Irene Burghardt |
University of Rostock, Germany University of Stuttgart, Germany University of Würzburg, Germany University of Frankfurt, Germany |
Mini symposium: New trends in theoretical chemistry |
2022, May 17 | Prof. Shirin Faraji | University of Groningen, Netherlands | Database accelerated on‑the‑fly hybrid quantum/classical dynamics |
2022, May 3 | Prof. Carolin König | Leibniz University Hannover, Germany | Tailored computational spectroscopy: A virtual magnifying glass for spectroscopic signatures |
2022, Feb. 8 | Prof. Michael Römelt | Humboldt‑University Berlin, Germany | Quantum chemistry for complex molecular systems |
2022, Feb. 1 | Prof. Jeremy Richardson | ETH Zürich, Switzerland | Bending the rules of classical mechanics to simulate quantum dynamics |
2022, Jan. 25 | Dr. Philipp Pleßow | KIT Karlsruhe, Germany | Computational Investigation of Metal/Support Interaction and Zeolite Catalysis |
2022, Jan. 18 | Dr. Benjamin Stickler | University Duisburg Essen, Germany | Conformer selection and enantiomer superpositions from matter‑wave interference |
2022, Jan. 11 | Prof. Peifeng Su | Xiamen University, China | Energy decomposition analysis methods for complex systems |
2020, Jul. 7 | Dr. Mahdi Shirazi | TU Eindhoven, Netherlands | Multiscale modelling of atomic layer deposition |
2020, Jun. 30 | Dr. Daniel Hernangómez‑Pérez | Weizmann Institute, Israel | Polaronic effects of pentacene on NaCl films |
2020, Jun. 16 | Dr. Dorothea Golze | Aalto University, Finland | Accurate XPS and XAS spectra from GW‑based methods |
2020, Jun. 9 | Dr. Paul Jerabek | Helmholtz‑Zentrum Geesthacht, Germany | From Superheavies to Hydrogen or There and Back Again |
2020, Jun. 2 | Dr. Yuki Nagata | MPI Mainz, Germany | Molecular modeling of water and ice surface through sum‑frequency generation spectroscopy |
2020, May 26 | Prof. Vera Krewald | TU Darmstadt, Germany | Electronic Structure Analysis of Molecular Complexes for Nitrogen Photoactivation |
2020, Jan. 21 | Prof. Dr. Stefanie Gräfe | University of Jena, Germany | Quantum chemistry and dynamics in strong(er) light fields |
2019, Dec. 17 | Prof. Burkhard Fricke Prof. Eugen Schwarz Prof. Pekka Pyykkö |
University of Kassel, Germany University of Siegen, Germany University of Helsinki, Finland |
Symposium, closing the International Year of the Periodic System |
2019, Dec. 10 | Prof. Dr. Reinhard Maurer | University of Warwick, UK | Computational insights into light- and electron‑driven chemistry at surfaces (jointly with SFB 1083) |
2019, Nov. 12 | Dr. Tristan Bereau | MPI Mainz, Germany | Soft‑matter simulations in the data‑driven era |
2019, Nov. 5 | Dr. Stella Stopkowicz | University of Mainz, Germany | Electronic structure in strong magnetic fields |
2019, Oct. 29 | Prof. Dr. Felix Studt | KIT Karlsruhe, Germany | The use of computations in zeolite catalysis: The methanol‑to‑olefins process |
2019, Jul. 16 | Prof. Prasad V. Bharatam | National Institute of Pharmaceutical Education and Research, Dep. of Medicinal Chemistry, Punjab/Indien | Divalent N(I) compounds: Medicinal and Catalytic applications |
2019, Jun. 4 | PD Dr. Stefan Knecht | ETH Zürich, Switzerland | Probing the chemistry of heavy elements with quantum chemical methods: from concepts to molecular properties |
2019, May 21 | Prof. Dr. Daniel Boese | University Graz, Austria | Intermolecular interactions: molecules, surfaces and molecular crystals |
2019, May 14 | Dr. Stella Stopkowicz | Johannes‑Gutenberg‑University Mainz, Germany | Electronic structure in strong magnetic fields |
2019, Apr. 24 | Prof. Dr. Pavel Jungwirth | Czech Academy of Sciences, Prague, Czech Republic | Probing solvated electrons by explosive as well as non‑explosive experiments and simulations (TCK and GDCh) |
2019, Mar. 22 | M.Sc. Dean Smith | Goethe‑Universität Frankfurt, Germany | Exciton Dynamics in Semi‑Conducting Polymers Studied by a Statistical Ehrenfest‑Langevin Approach |
2019, Feb. 12 | Prof. Dr. Robert Franke | Evonik Performance Materials GmbH, Marl, Germany | Why is computational chemistry needed in the chemical industry? |
2019, Feb. 11 | Prof. Dr. Laurence Barron | University of Glasgow, United Kingdom | Symmetry and Chirality: where Physics Shakes Hands with Chemistry and Biology (virtual ELCH Colloquium at University of Kassel, Germany) |
2019, Jan. 22 | Prof. Sandra Luber | ETH Zürich, Switzerland | Recent advances in computational spectroscopy and catalysis |
2019, Jan. 16 | Jun.‑Prof. Dr. Bettina Keller | FU Berlin, Germany | Multiscale models of complex molecular dynamics |
2018, Dec. 18 | Dr. Thomas Jagau | Ludwig‑Maximilians‑University Munich, Germany | Non‑Hermitian Quantum Mechanics – Theoretical Chemistry of Electronic Resonances |
2018, Dec. 12 | Prof. Dr. Paul‑Gerhard Reinhard | Friedrich‑Alexander‑Universität Erlangen‑Nürnberg, Germany | Density functionals in nuclear physics – calibration and error estimate |
2018, Jul 3 | Prof. Florian Gebhard | Philipps‑University of Marburg, Germany | Electronic excitations in poly‑(di)‑acetylenes: DMRG results for the Peierls‑Hubbard‑Ohno model |
2018, Jun 12 | Ass.‑Prof. Susmita De | Cochin University of Science and Technology, Kerala, India | Roles of Different Amino‑acid Residues Towards Binding and Selective Transport of K+‑ion Through KcsA K+‑ion Channel |
2018, Jun 5 | Prof. Raj Kumar Bansal | IIS University Mansarovar, Jaipur, India | Synergy between computational and experimental results |
2018, May 29 | Dr. Matthias Lein | Victoria University of Wellington, New Zealand | A Free Energy Decomposition Analysis |
2018, May 15 | Ass.‑Prof. Avni Berisha | University of Pristina, Kosovo | Theoretical insights toward the understanding of the spontaneous modification of gold by aryldiazonium salts |
2018, May 8 | Dr. Tao Yang | Philipps‑University of Marburg, Germany | Bonding Analysis of N‑Oxides and Phosphane Oxides R3EO (E = N, P; R = H, F, Cl, Me, Ph) and Octacarbonyl Anion Complexes [TM(CO)8] – (TM = Sc, Y, La) |
2018, Apr. 24 | Julius Hornung | Technical University München, Germany | Hume‑Rothery inspired Bimetallic Clusters: Organometallic Chemistry at the Borderline between Molecular Compounds and Intermetallic Solid State Phases |
2018, Apr. 23 | Prof. Peter Schwerdtfeger | Massey University, New Zealand | From Kissing Hard Spheres to Lennard‑Jones Like Clusters |
2018, Apr. 17 | Dr. Oldamur Hollóczki | University of Bonn, Germany | Are there carbenes in N‑heterocyclic carbene organocatalysis?” |
2018, Feb. 5 | Dr. Christoph Loschen | Cosmologic GmbH & Co.KG, Leverkusen, Germany | Computational Chemistry in industrieller Forschung & Entwicklung am Beispiel von COSMO‑RS |
2018, Jan. 23 | Prof. Christian Heiliger | Justus‐Liebig‐University Gießen, Germany | Ab initio description of spin‑dependent electron transport in nanostructures |
2018, Jan. 16 | Prof. Sandra Luber | University of Zürich, Switzerland | Recent advances in catalysis and vibrational spectroscopy |
2017, Dec. 19 | Dr. Jean‑Christophe Tremblay | FU Berlin, Germany | Imaging Ultrafast Correlated Electron Dynamics in Molecules and Nanostructures |
2017, Dec. 13 | Prof. Evert‑Jan Baerends | University of Amsterdam, Netherlands | On the lengths and character of chemical bonds. Kinetic energy and potential energy as signatures of diversity (Hellmann Lecture with GDCh) |
2017, Dec. 5 | Dr. Elke Pahl | Massey University, New Zealand | Phase Transitions in Nanoclusters and Extended Systems |
2017, Nov. 28 | Prof. Georg Jansen | University Duisburg‑Essen, Germany | Theory and computation of intermolecular interactions |
2017, Nov. 14 | Prof. Andrei Tchougreeff | RWTH Aachen, Germany and Russian Academy of Science, Moscow, Russia | Deductive Molecular Mechanics: from numerical efficiency to general statements |
2017, Nov. 7 | Prof. Martin Head‑Gordon | University of Berkeley, USA | Variational energy decomposition analysis for understanding chemical bonds and non‑bonded interactions from density functional theory calculations |
2017, Oct. 24 | Prof. Horst Schmidt‑Böcking | University of Frankfurt, Germany | Heisenberg's uncertainty relationship revisited – limits of measurement accuracy in the quantum world |
2017, Jun. 27 | Dr. Olga Smirnova | Max–Born Institut Berlin, Germany | Looking inside chiral molecules at ultrafast time scales |
2017, May 30 | Ass. Prof. Dr. Joonsuk Huh | Sungkyunkwan University, Korea | Quantum simulation of molecular spectroscopy |
2017, May 23 | Prof. Dr. Volker Engel | University of Würzburg, Germany | Signatures of vibronic dynamics |
2017, May 16 | Dr. Marc Raupach | SCM Amsterdam, Netherlands | Swan song on time‑dependent current density functional theory for extended systems |
2017, Apr. 28 | Dr. Samuel Dawkins | University of Kassel, Germany | Single‑ion heat engine |
2017, Jan. 31 | Prof. Doreen Mollenhauer | Justus‐Liebig‐University Gießen, Germany | Towards Understanding Lithium‑Ion Batteries at Atomistic Level |
2017, Jan 26 | Prof. Andreas Görling | University of Erlangen Nürnberg, Germany | Orbital‐free DFT (jointly with SFB1083) |
2017, Jan. 24 | Prof. Hendrik Zipse | Ludwig‑Maximilians‑University Munich, Germany | The Silylation of Alkohols |
2017, Jan. 17 | Dr. Eva Rauls | University of Paderborn, Germany | Free‐base Corroles on Ag(111) – Measuring and Modelling of On‐surface Structural Transformations |
2017, Jan. 10 | Prof. Angel Martin Pendas | University of Oviedo, Spain | Intrinsic bond energies: A real space point of view |
2016, Dec. 6 | Dr. Annika Bande | FU Berlin, Germany | Electrons moving on new paths: Electron Dynamics of Ultrafast Energy Transfer Processes |
2016, Nov. 29 | Prof. Johannes Neugebauer | University of Münster, Germany | in Quantum Dots |
2016, Nov. 22 | Prof. Tobias Schwabe | University of Hamburg, Germany | About dispersion, electronic excitations, and polarizable embedding |
2016, Nov. 15 | Ass. Prof. Cina Foroutan‑Nejad | Masaryk University, Brno, Czech Republic | Chemistry in the presence of an external electric field |
2016, Jul. 26 | Dr. Lukas Hammerschmidt | Massey University, New Zealand | Tackling Accuracy and Systematic Difficulties in Calculating Surface Energies |
2016, Jul. 12 | Prof. Michael Dolg | University of Cologne, Germany | Unusual electronic structure of some cerium compounds and ambiguous cerium oxidation state assignments |
2016, Jul. 11 | Prof. Catharine Esterhuysen | University Stellenbosch, South Africa | Gold as a Lewis Base |
2016, Jun. 28 | Prof. Thomas Kühne | University of Paderborn, Germany | The name is bond – Hydrogen bond |
2016, Jun. 28 | Prof. Tiow‑Gan Ong | Academia Sinica Taipei, Taiwan | Main Group Chemistry and Catalysis through Synthesis of Carbodicarbene (TCK and OCK) |
2016, Jun. 21 | Prof. Reinhard Noack | Philipps University of Marburg, Germany | Density Matrix Renormalization Group and other Entanglement‑based Methods Applied to Quantum Chemistry |
2016, Jun. 14 | Jun.‑Prof. Thomas Körzdörfer | University of Potsdam, Germany | Calculating UPS spectra from first principles – a challenge for theory |
2016, May 17 | Prof. Thomas Stöhlker | GSI Darmstadt, Germany | Exploring Matter in Extreme Electromagnetic Fields |
2016, May 3 | Prof. Francesco Montalenti | University of Milan, Italy | Continuum modeling of heteroepitaxial growth (TCK + GRK 1782) |
2016, Apr. 19 | Prof. Thomas Heine | University of Leipzig, Germany | Rational Computational Materials Design using Quantum Confinement |
2016, Feb. 9 | Phil Rosenow | Philipps University of Marburg, Germany | PhD results |
2016, Feb. 2 | PD Dr. Udo Hoeweler | CHEOPS Molecular Modeling, Altenberge, Germany | The Ella Cinder Technique – Molecular Modeling in a Commercial Setting |
2016, Jan. 26 | Prof. Joachim Sauer | Humboldt‑University Berlin, Germany | Ab initio free energy calculations with chemical accuracy for large chemical systems |
2016, Jan. 19 | Prof. Matthias Bickelhaupt | Frije Universiteit Amsterdam, Netherlands | Hypervalence, Carbon, and the Frozen SN2 Transition State |
2016, Jan. 12 | Prof. Peter Saalfrank | University of Potsdam, Germany | Non‑adiabatic dynamics at surfaces (jointly with SFB 1083) |
2016, Jan. 12 | B.Sc. Anna‑Katharina Hansmann | Philipps University of Marburg, Germany | MSc thesis results |
2015, Dec. 15 | Jun.‑Prof. Martin Korth | University of Ulm, Germany | Molecular materials for electrochemical energy storage |
2015, Dec. 9 | Prof. Pekka Pyykkö | University of Helsinki, Finland | Hellmann Lecture: Relativistic effects in heavy‑element chemistry (jointly with GDCh) |
2015, Dec. 4 | Prof. Shridhar Gadre | IIT Kanpur, India | Molecular electrostatics: a topographical viewpoint |
2015, Dec. 1 | Prof. Christoph van Wüllen | University of Kaiserslautern, Germany | How can one improve Single Molecule Magnets? Quantum chemical modelling of SMMs with „heavy“ and „light“ metal centers |
2015, Nov. 25 | Prof. Christoph Jacob | University of Braunschweig, Germany | Density‐Functional Theory for Complex Chemical Systems |
2015, Nov. 12 | Prof. Alexey Timoshkin | St. Petersburg State University, Russia | Donor‐acceptor complexes of inorganic analogs of benzene: stability and reactivity |
2015, Aug. 4 | Dr. Li‑Ming Yang | Jakobs University of Bremen, Germany | Electronic structure calculations on planar molecules, 2D sheets, and framework materials |
2015, Jul. 20 | Prof. Robert Evarestov | St. Petersburg State University, Russia | From Nanolayer to Nanotube: Zone Folding Approach |
2015, Jul. 17 | Prof. Vladimir Shabaev | Fock Institute of Physics, St. Petersburg State University, Russia | Relativistic theory of the nuclear recoil effect in atoms |
2015, Jul. 14 | Dr. Remco Havenith | University of Groningen, Netherlands | Non‐orthogonal configuration interaction for the calculation of electronic couplings |
2015, Jul. 7 | Prof. Beate Paulus | University of Berlin, Germany | Theoretical material and surface science: From method development to applications |
2015, Jun. 12 | Prof. Peter Gill | Australian National University, Australia | MP2[V]: A simple approximation to second‐order Møller‐Plesset perturbation theory |
2015, Jun. 9 | Prof. Friedhelm Bechstedt | University of Jena, Germany | Quasiparticle and pair excitations: Influence of dynamical screening, free carriers and defects |
2015, May 12 | Prof. Guntram Rauhut | University of Stuttgart, Germany | Calculation of photoelectron spectra from anharmonic vibrational wavefunctions |
2015, May 7 | Prof. Jörg Neugebauer | MPI Düsseldorf, Germany | Ab initio thermodynamics: A novel route to design materials on the computer |
2015, May 2 | Prof. Max Holthausen | University of Frankfurt, Germany | A fresh look at the chemistry of perchlorosilanes: Plasma chemistry and unexpected reactivity from a quantum chemical perspective |
2015, April 21 | Prof. Clemence Corminboeuf | ETH Lausanne, Switzerland | Quantification and analysis of intra‐ and intermolecular phenomena |
2015, Jan. 27 | Prof. Benoit Braida | Université Pierre et Marie Curie Paris, France | A valence bond / quantum monte carlo study of „pancake bonding” |
2015, Jan. 20 | Prof. Richard Dronskowski | RWTH Aachen, Germany | Solid‐state chemical bonding from local orbitals and plane waves |
2015, Jan. 13 | Dr. Marc Raupach | Philipps University of Marburg, Germany | PhD results |
2014, Dec. 16 | Dr. Yiying Zheng | MPI Mülheim, Germany | Theoretical investigation on the reaction mechanism of some typical green chemistry catalysts |
2014, Dec. 12 | Prof. Ashoka Samuelson | Indian Institute of Science, Bangalore, India | Targeted anti‐cancer metal complexes |
2014, Dec. 12 | Prof. Ashoka Samuelson | Indian Institute of Science, Bangalore | Targeted Anti‐cancer Metal Complexes |
2014, Dec. 9 | Anne Nierobisch | Philipps University of Marburg, Germany | TC‑FPR |
2014, Dec. 5 | Dr. Simon Elliott | University College Cork, UK | A new picture of thin film deposition through atomic‐scale simulation |
2014, Dec. 2 | Prof. Clemence Corminboeuf | EPF Lausanne, Switzerland | Quantification and analysis of intra‐ and intermolecular phenomena |
2014, Jul. 17 | Prof. Reinhold Fink | University of Tübingen, Germany | New perturbation theories for electronic structure calculations with “optimized” wave functions |
2014, Jul. 8 | Prof. Karsten Reuter | Technische Universität München, Germany | From Electrons to the Reactor: Multiscale Modeling of Catalytic Processes |
2014, Jun. 24 | Dr. Mariusz Mitoraj | Jagiellonian University, Poland | From Organometallic Compounds to Weakly Interacting Systems – Bonding Description Based on the Combined Charge and Energy Decomposition Scheme (ETS‑NOCV) |
2014, Jun. 18 | Prof. Masahiro Ehara | Institute of Molecular Science, Okazaki, Japan | Unique heterogeneous catalysis with metal nanoclusters |
2014, Jun. 18 | Prof. Francesc Illas | University of Barcelona, Spain | Towards first principles modeling of realistic systems in heterogeneous catalysis: Two recent examples |
Seminar on Electronic Structure and Quantum Chemistry (at TU Darmstadt, jointly with FIAS)
2014, Mar. 26 | Tobias Pfeiffer | TU Darmstadt, Germany | Theoretical description of orientation in molecular scattering experiments |
2013, Nov. 6 | Oxana Upir | TU Darmstadt, Germany | Bond dissociation energies of MCH2+ |
2013, Sep. 10 | Marvin Bernhardt | TU Darmstadt, Germany | Continuous Chirality Measure and Vibrational Circular Dichroism |
2013, Jul. 18 | Dr. Ansgar Schäfer | BASF, Ludwigshafen, Germany | Quantum Chemistry @ BASF – Modeling from Atoms to Materials and Processes |
2013, Jul. 10 | Dr. Marianne Engeser | Kekulé‑Institute for Organic Chemistry and Biochemistry, University of Bonn, Germany | Enamine radical cations in solution and the gas phase |
2013, Jun. 5 | Priv.‑Doz. Dr. María Belén Ruiz Ruiz | Institute for Theoretical Chemistry, University of Erlangen‑Nuremberg, Germany | Accurate Hylleraas‑CI wave functions for the atomic effect in the nuclear β−‑decay of the Li atom |
2013, May 28 | Prof. Dr. Christiane Koch | Theoretical Physics, University of Kassel, Germany | Coherent Control of Photoassociation: Opportunities and Fundamental Limits |
2013, Apr. 17 | Dr. Dominik Kröner | Institute of Chemistry, University of Potsdam, Germany | Distinction and Switching of Molecular Chirality by Laser Pulses |
2013, Jan. 16 | Dr. Anastasia Borschevsky | Helmholtz Institute Mainz, Germany | Benchmark Calculations of Atomic Properties of the Superheavy Elements |
2012, Dec. 19 | B.Sc. Sebastian Marquardt | TU Darmstadt, Germany | Towards Meitner‑Auger Transitions in Molecules |
2012, Dec. 12 | Prof. Dr. Hermann Stoll | Institute for Theoretical Chemistry, University of Stuttgart, Germany | Local increments for solids |
2012, Nov. 28 | Quantum Chemistry and Theoretical Organic Chemistry group | TU Darmstadt, Germany | Project overview |
2012, Oct. 24 | Prof. Dr. P.C. Mishra | Department of Physics, Banaras Hindu University, Varanasi, India | Properties of polycyclic aromatic hydrocarbons as finite size models of graphene and graphene nanoribbons |
2012, Oct. 17 | Oxana Upir | TU Darmstadt, Germany | Performance Evaluation and Optimization of Tandem Mass Spectrometry for Middle‑Down Proteomics |
2012, Oct. 16 | Dr. Olga Malkina | Institute of Inorganic Chemistry, Slovak Academy of Science, Bratislava, Slovakia | Visualization of NMR spin‑spin coupling pathways |
2012, Oct. 16 | Dr. Vladimir Malkin | Institute of Inorganic Chemistry, Slovak Academy of Science, Bratislava, Slovakia | Relativistic calculations of NMR and EPR parameters |
2012, Jul. 11 | Prof. Dr. Robert Franke | Evonik Industries, Marl, Germany | Computational Chemistry in Industrial Research |
2012, May 31 | Prof. Dr. Dr. h.c. mult. Mieczyslaw Makosza | Institute of Organic Chemistry, Polish Academy of Science, Warsaw, Poland | Nucleophilic Substitution of Hydrogen in Electron‑Deficient Arenes. Missing Part of the Aromatic Substitution Puzzle |
2012, May 23 | M. Sc. Evgeny Grigoryev | Southern Federal University, Rostov‑on‑Don, Russia | Theoretical investigation of ring‑opening reactions of 1‑methyl‑1‑benzyl‑2‑benzoxymethyl aziridine or azetidine derivatives |
2012, Jan. 12 | Daniel A. Götz | TU Darmstadt, Germany | Core‑valence electron correlation in explicitly correlated F12 methods |
2012, Jan. 11 | Dr. Ralf Tonner | Chemistry Department, University of Marburg, Germany | Surfaces and Solids – Adsorption Studies and Spectroscopy at Metals, Semiconductors and Molecular Crystals with Periodic DFT Methods |
2011, Nov. 9 | Dr. Behnam Nikoobakht | Institute for Theoretical Chemistry, University of Heidelberg, Germany | Efficient computation of adiabatic populations in multi‑mode Jahn‑Teller systems through the use of effective vibrational modes |
2011, Oct. 19 | Dr. Volker Blum | Theory Department, Fritz Haber Institute, Berlin, Germany | Capturing large systems with first principles: Pushing some limits of electronic structure theory for peptides and surfaces |
2011, Jul. 29 | Prof. Dr. Victor V. Flambaum | Department of Theoretical Physics, University of New South Wales, Sydney, Australia | Time and parity violation in atoms and molecules |
2011, Jun. 29 | Prof. Dr. Igor Mishustin | Frankfurt Institute for Advanced Studies, Johann‑Wolfgang‑Goethe University, Germany | Nuclear fragmentation reactions: from basic research to medical applications |
2011, Jun. 27 | Prof. Dr. Mikhail Kozlov | Petersburg Nuclear Physics Institute, Russian Academy of Science, Russia | Molecules to test variation of fundamental constants in astrophysics |
2011, Jun. 22 | Prof. Dr. Peter Schwerdtfeger | Centre for Theoretical Chemistry and Physics, The New Zealand Institute for Advanced Study, Massey University Auckland, New Zealand | The Pseudopotential Approximation |
2011, Jun. 1 | Dipl.‑Ing. Urban Rohrmann | Eduard‑Zintl‑Institute, TU Darmstadt, Germany | Combined beam deflection and DFT studies of neutral clusters: Investigation of electronic and geometric structure |
2011, May 25 | Prof. Dr. Guntram Rauhut | Institute for Theoretical Chemistry, University of Stuttgart, Germany | Accurate vibrational spectra obtained from vibrational multi‑configuration self‑consistent field theory |
2011, May 18 | Prof. Dr. Christoph Düllmann | Institute for Nuclear Chemistry, Johannes Gutenberg University, Mainz, Germany and Nuclear Chemistry, Gesellschaft für Schwerionenforschung, Darmstadt, Germany | Superheavy Element Research at GSI |
2011, May 11 | Prof. Dr. Steven Hoekstra | Kernfysisch Versneller Instituut (KVI), University of Groningen, The Netherlands | Deceleration and trapping of heavy diatomic molecules for precision tests of fundamental symmetries |
2011, May 4 | Prof. Dr. Stephan Fritzsche | Gesellschaft für Schwerionenforschung, Darmstadt, Germany and Physical Institute, University of Heidelberg, Germany and Finnish Academy at Oulu University, Finland | How well do we understand the electronic structure and properties of free atoms? |
2011, Apr. 20 | Prof. Dr. Achim Schwenk | Institute for Nuclear Physics, TU Darmstadt, Germany | Structure of neutron‑rich systems and universal properties |
2011, Jan. 17 | Hauke Westemeier | Chemistry Department, University of Marburg, Germany | Reaction mechanism of a palladium catalysed reduction of azo‑compounds |
2010, Nov. 10 | Prof. Dr. Laszlo von Szentpály | Institute for Theoretical Chemistry, University of Stuttgart, Germany | From Electronegativity and Hardness to Dianion Stability and a Universal Potential Energy Curve: the Roles of Pair Interaction Correction |
2010, Oct. 6 | Dr. Lotje Wansbeek | Kernfysisch Versneller Instituut (KVI), University of Groningen, The Netherlands | Atomic parity violation in a single trapped radium ion |
2010, Sep. 6 | Prof. Dr. Yitzhak Apeloig | Department of Chemistry, Israel Institute of Technology (TECHNION), Haifa, Israel | Recent Studies of Low‑Coordination Silicon Compounds. Multiple Bonds, Metallosilanes (Silyl Anions) and Silyl Radicals |
2010, Jul. 14 | Joonsuk Huh | Clemens‑Schöpf Institute, TU Darmstadt, Germany and Frankfurt Institute for Advanced Studies, Johann Wolfgang Goethe University, Germany | Time‑independent cumulant expansion: Temperature dependent effective Huang‑Rhys factor and electron transfer theory for large molecular systems |
2010, Jun. 9 | Dr. Yunlong Xiao | Clemens‑Schöpf Institute, TU Darmstadt, Germany and Frankfurt Institute for Advanced Studies, Johann Wolfgang Goethe University, Germany | Four component calculation for NMR shielding |
2010, May 26 | Sascha Brück | Clemens‑Schöpf Institute, TU Darmstadt, Germany | Analytic derivatives for molecular parity violation |
2010, May 19 | Dr. Yuanyuan Zhao | Clemens‑Schöpf Institute, TU Darmstadt, Germany | High level ab initio benchmark calculations of ionic liquids |
2010, May 7 | Sebastian Marquardt | TU Darmstadt, Germany | Towards an accurate description of aurophilicity in generalized gradient approximations in Density Functional Theory |
2010, Apr. 28 | Dr. Timur Isaev | Clemens‑Schöpf Institute, TU Darmstadt, Germany | Direct laser cooling of di- and polyatomic molecules |
2010, Apr. 22 | Prof. Dr. W. H. Eugen Schwarz | University of Siegen, Germany | The Scientific Basis of the Periodic System Cannot be Found in the Textbooks |
2010, Mar 31 | Andrey A. Mukhanov | Ivanovo State University of Chemistry and Technology, Ivanovo, Russia | Ab initio study of some first row transition metals fluorides structures |
Seminar on Electronic Structure and Quantum Chemistry (at FIAS, University of Frankfurt, jointly with Prof. Max Holthausen and Prof. Andreas Dreuw)
2009, Aug. 31 | Prof. Dr. Wenjian Liu | Institute for Theoretical and Computational Chemistry, Peking University, Beijing, P. R. China | Relativistic Theory for NMR Parameters: New Developments and Perspectives |
2009, Jul. 15 | Prof. Dr. Daniel Crawford | Department of Chemistry, Virginia Polytechnic Institute and State University, United States of America | Quantum Chemical Studies of the Optical Properties of Chiral Molecules |
2009, Jun. 17 | Prof. Dr. Tim Clark | Department of Chemistry and Pharmacy, Computer‑Chemistry‑Center, Friedrich‑Alexander‑University of Erlangen‑Nuremberg, Germany | Soft Matter – Structure, Stability and Electronic Properties |
2009, Jun. 03 | Prof. Dr. Trond Saue | Institut de Chimie de Strasbourg, Université Louis Pasteur, France | Bending and bonding in heavy water |
2009, May 20 | Prof. Dr. Jürgen Gauß | Institute for Physical Chemistry, Johannes Gutenberg University, Mainz, Germany | Perturbative Treatment of Relativistic Effects within Coupled‑Cluster Theory |
2009, Feb. 11 | Prof. Dr. Jürgen Stohner | Institute of Chemistry and Biological Chemistry, ZHAW Zürich University of Applied Sciences, Wädenswil, Switzerland | Infrared multiphoton excitation in polyatomic molecules |
2009, Jan. 28 | Dr. Ioannis Thanopoulos | Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, Athens, Greece | Taming Quantum Dynamics by Coherent Light: Theory and Applications |
2009, Jan. 14 | Prof. Dr. Marcus Elstner | Institute for Physical and Theoretical Chemistry, Technical University at Brunswick, Germany | QM/MM simulations of charge transfer and excited states properties in biological systems |
2008, Dec. 3 | PD Dr. Markus Pernpointner | Institute for Physical Chemistry, University of Heidelberg, Germany | Relativistic Propagators in Quantum Chemistry: Theory and Applications |
2008, Nov. 5 | Dr. Michael Hanrath | Institute for Theoretical Chemistry, University of Cologne, Germany | Multi‑Reference Coupled Cluster: Perspectives, Difficulties and Results |
2008, Oct. 22 | Volker Schmidts | Institute for Organic Chemistry and Biochemistry, Technical University of Darmstadt, Germany and Frankfurt Institute for Advanced Studies, Germany | Computer assisted analysis of residual dipolar couplings |
2008, Jul. 9 | Dr. Konrad Koszinowski | Department of Chemistry and Biochemistry, Ludwig‑Maximilians‑University Munich, Germany | Dynamics of the H + D2 Reaction |
2008, Jun. 11 | Prof. Dr. Jochen Schirmer | Institute for Physical Chemistry, University of Heidelberg, Germany | Is time‑dependent density functional theory formally exact? Critique of the formal foundations of TDDFT |
2008, Jun. 4 | Prof. Dr. Dieter Schuch | Frankfurt Institute for Advanced Studies and Institute of Theoretical Physics, Goethe‑University Frankfurt am Main, Germany | On the complex relations between different formulations of quantum mechanics |
2008, May 21 | Prof. Dr. Ralf Ludwig | Theoretical and Physical Chemistry, Department of Chemistry, University of Rostock, Germany | Understanding the unusual properties of water and ionic liquids |
2008, May 14 | Robert Manteufel | Center for Scientific Computing, Johann Wolfgang Goethe‑University, Germany | Density Functional Theory with Exact Exchange: How to speed up band structure calculations |
2008, May 7 | Dr. Peter Nonnenmann | Frankfurt Institute for Advanced Studies, Johann Wolfgang Goethe‑University, Germany | Simulation of the Complex Häussler‑von‑der‑Malsburg Dynamics |
2008, May 6 | Prof. Dr. Gernot Frenking | Theoretical Chemistry, Chemistry Department, University of Marburg, Germany | Molecules with unusual bonding situations: Divalent carbon(0) chemistry, terminal carbon complexes and transition metal compounds with coordination number 12. A challenge for theory and experiment |
2008, Apr. 23 | Prof. Dr. Christopher J. Cramer | Department of Chemistry and Supercomputer Institute, University of Minnesota, United States of America | Electronic Structure Challenges Associated with Dioxygen Activation at Mono- and Binuclear Copper Enzyme Site Models |
2008, Apr. 16 | Dr. Andreas Köhn | Institute for Physical Chemistry, Johannes Gutenberg University Mainz, Germany | Excitation Energy Transfer in Multi‑Chromophoric Systems: Interplay of Theory and Experiment |
2008, Feb. 1 | Prof. Dr. Lucas Visscher | Theoretical Chemistry, Vrije Universiteit Amsterdam, The Netherlands | Seamless computational chemistry: a subsystem DFT approach to multiscale modeling |
2008, Jan. 30 | Prof. Dr. Oliver Kühn | Institute for Physics, University of Rostock, Germany | Potential Energy Surfaces for Multidimensional Quantum Dynamics |
2008, Jan. 23 | Prof. Dr. Alexander Auer | Institute for Chemistry, Chemnitz University of Technology, Germany | Automatic code generation in electronic structure methods |
2008, Jan. 16 | Prof. Dr. Maria‑Roser Valenti | Institute for Theoretical Physics, Johann Wolfgang Goethe University, Germany | On the role of competing interactions in frustrated materials |
2007, Dec. 6 | Prof. Dr. Per Jensen | Theoretical Chemistry, Chemistry Department, University of Wuppertal, Germany | Energy Cluster Formation in XH2 and XH3 Molecules |
2007, Nov. 21 | Dr. Alexander Kuleff | Institute for Physical Chemistry, University of Heidelberg, Germany | Multielectron wave‑packet propagation for tracing ultrafast electronic processes in real time and space |
2007, Nov. 14 | Prof. Dr. Guntram Rauhut | Institute for Theoretical Chemistry, University of Stuttgart, Germany | VSCF theory – the parallel universe |
2007, Nov. 12 | Prof. Dr. Mikhail Kozlov | Petersburg Nuclear Physics Institute, Russian Academy of Science, Russia | Search for space‑time variation of the fine structure constant and proton‑to‑electron mass ratio |
2007, Nov. 7 | HD Dr. Dirk Andrae | Theoretical Chemistry, Department of Chemistry, University of Bielefeld, Germany | Dendrizymes and Molecular Knots: Challenges for Theory and Experiment |
2007, Oct. 26 | Prof Dr. Philipp Scherer | Institute for Theoretical Physics, Physics Department, Technical University of Munich, Germany | Electronic structure calculations for the Reaction Center of Bacterial Photosynthesis |
2007, Sep. 21 | Prof. Dr. Anatoly V. Titov | Petersburg Nuclear Physics Institute, Russian Academy of Science, Russia | Relativistic pseudopotentials, restoration techniques and study of P,T‑parity nonconservation effects in heavy‑atom molecules |
2007, Aug. 31 | Prof. Dr. Wenjian Liu | Institute for Theoretical and Computational Chemistry, Peking University, Beijing, P. R. China | Relativistic Theory for Magnetic Properties |
2007, Aug. 27 | Dr. Sergei Vyboishchikov | Institut de Química Computacional, Universitat de Girona, Spain | Theoretical studies of weak Si···H interactions in organometallic chemistry |
2008, Jul. 30 | Dr. Nedko Drebov | Department of Physical Chemistry, University of Sofia, Bulgaria | Magnetic properties of one‑dimensional and two‑dimensional organic systems with intra- and intermolecular exchange interactions |
2008, Jul. 27 | Dr. Carine Michel | Equipe de Chimie Théorique, Université Joseph Fourier, Grenoble, France | Metadynamics: a tool for understanding chemical reactivity |
2007, Jul. 11 | Dr. Ephraim Eliav | School of Chemistry, Tel Aviv University, Israel | Recent progress in relativistic multi‑root multireference coupled‑cluster approach |
2007, Jun. 12 | Prof. Dr. Debashis Mukherjee | Department of Physical Chemistry, Indian Association for the Cultivation of Science, Kolkata, India | Some recent developments of a size‑extensive state‑specific multireference CC theory |
2007, Jun. 6 | Prof. Dr. Wesley D. Allen | Center for Computational Chemistry, University of Georgia, Athens, United States of America | State‑Specific Multireference Coupled Cluster Theories |
2007, Jun. 4 | Prof. Dr. David Avnir | Institute of Chemistry, The Hebrew University, Jerusalem, Israel | Continuous Symmetry and Chirality Measures |
2007, May 23 | Prof. Dr. Eberhard Engel | Institute for Theoretical Physics, Johann Wolfgang Goethe University, Germany | Implicit Exchange‑Correlation Functionals: A Third Generation of Density Functional Theory |
2007, May 2 | Prof. Dr. Willem M. Klopper | Institute of Physical Chemistry, University of Karlsruhe, Germany | New developments in R12 methods |
2007, Apr. 25 | Dr. Valeria Pershina | Gesellschaft für Schwerionenforschung, Darmstadt, Germany | Theoretical chemistry for chemical identification of the heaviest elements |
2007, Feb. 21 | Julia Rakow | Institute of Inorganic and Analytic Chemistry, Johann Wolfgang Goethe University, Germany | Green's function methods for excited states |
2007, Feb. 14 | Sandor Tüllmann | Institute of Inorganic and Analytic Chemistry, Johann Wolfgang Goethe University, Germany | Excited states and magnetic properties |
2007, Jan. 31 | Sophie Nahrwold | Frankfurt Institute for Advanced Studies, Johann Wolfgang Goethe University, Germany | Dynamics at conical intersections |
2007, Jan. 24 | Hans‑Christian Jankowiak | Frankfurt Institute for Advanced Studies, Johann Wolfgang Goethe University, Germany | Spectroscopy and conical intersections |
2006, Jan. 10 | Maxim Zakharov | Institute of Physical and Theoretical Chemistry, Johann Wolfgang Goethe University, Germany | Excited state potential energy surfaces with time‑dependent density functional theory |
2006, Dec. 20 | Jan Hendrik Starcke | Institute of Physical and Theoretical Chemistry, Johann Wolfgang Goethe University, Germany | Linear response and equation‑of‑motion methods |
2006, Dec. 13 | Prof. Dr. Trond Saue | Institut de Chimie de Strasbourg, Université Louis Pasteur, France | Vacuum polarisation and the variational problem of 4‑component relativistic Hartree‑Fock |
2006, Nov. 29 | Joonsuk Huh | Technical University Munich, Germany | Vibronic coupling and electron transfer |
2006, Nov. 29 | Jürgen Plötner | Institute of Physical and Theoretical Chemistry, Johann Wolfgang Goethe University, Germany | Conical Intersections: Introduction |
2006, Nov. 22 | Julia Borowka | Institute of Chemistry, Technical University of Berlin, Germany | Quantum chemical calculations on the copper(II) catalyzed Michael reaction |
2006, Nov. 15 | Prof. Dr. Kenso Soai | Department of Applied Chemistry, Tokyo University of Science, Japan | Asymmetric Autocatalysis and the Origin of Homochirality |
2006, Nov. 8 | Michael Wormit | Institute of Physical and Theoretical Chemistry, Johann Wolfgang Goethe University, Germany | Beyond Born‑Oppenheimer |
2006, Nov. 1 | Guido Laubender | Frankfurt Institute for Advanced Studies, Johann Wolfgang Goethe University, Germany | Born‑Oppenheimer approximation |
2006, Oct. 25 | Prof. Dr. Christoph van Wüllen | Institute of Chemistry, Technical University of Berlin, Germany | Relativistic Quantum Chemistry with Two‑Component Spinors |
2006, Oct. 18 | Dr. Timur A. Isaev | Petersburg Nuclear Physics Institute, Russian Academy of Science, Russia | Ab initio calculations of P,T‑odd properties in heavy‑atom molecules |
2006, Oct. 17 | Dr. Dage Sundholm | Department of Chemistry, University of Helsinki, Finland | Computational studies of alkali‑metal coinage‑metal clusters: photoelectron spectra, structures, and aromaticity |
2006, Aug. 16 | Dr. Michiko Atsumi | Graduate School of Integrated Sciences, Ochanomizu University, Japan | Density Functional Theory on Ru(II) complexes used as intercalators in DNA |
2006, Jul. 19 | Julia Rakow | Institute of Inorganic and Analytic Chemistry, Johann Wolfgang Goethe University, Germany | From Vector Coupling to Broken Symmetry States |
2006, Jul. 12 | Jan Hendrik Starcke | Institute of Physical and Theoretical Chemistry, Johann Wolfgang Goethe University, Germany | Excited state calculations and the influence of doubly excited configurations |
2006, Jul. 05 | Prof. Dr. Tucker Carrington | Département de chimie, Université de Montréal, Canada | New ideas for computing vibrational energy levels applied to CH5+ |
2006, Jun. 21 | Michael Wormit | Institute of Physical and Theoretical Chemistry, Johann Wolfgang Goethe University, Germany | Charge and Energy Transfer in LH2 Complexes of Purple Bacteria – What TDDFT Can Do |
2006, Jun. 28 | Guido Laubender | Frankfurt Institute for Advanced Studies, Johann Wolfgang Goethe University, Germany | The dream of all football fans: From 1:1 to 10:1 |
2006, Jun. 14 | Prof. Dr. Antonio Rizzo | Istituto per i Processi Chimico Fisici, Italian Consiglio Nazionale delle Ricerche, Pisa, Italy | Non‑linear properties of chiral systems: Two‑photon circular dichroism, optical Faraday effect and magnetochirality |
2006, Jun. 07 | Dr. Jason Stuber | Frankfurt Institute for Advanced Studies, Johann Wolfgang Goethe University, Germany | Molecular properties and analytical gradients |
2006, May 31 | Jürgen Plötner | Institute of Physical and Theoretical Chemistry, Johann Wolfgang Goethe University, Germany | Solid‑state fluorescence of pigment yellow 101: A conserved molecular property |
2006, May 31 | Hans‑Christian Jankowiak | Frankfurt Institute for Advanced Studies, Johann Wolfgang Goethe University, Germany | Calculation of branching ratios in NR‑mass spectra using Franck‑Condon profiles |
2006, May 17 | Dr. Wolfgang Hieringer | Institute of Physical and Theoretical Chemistry, Friedrich‑Alexander University Erlangen‑Nuremberg | Non‑linear optical properties of molecules by TDDFT calculations |
2006, May 03 | Sophie Nahrwold | Frankfurt Institute for Advanced Studies, Johann Wolfgang Goethe University, Germany | Calculating parity violating NMR spectra of chiral molecules |
2006, Apr. 26 | Maxim Zakharov | Institute of Physical and Theoretical Chemistry, Johann Wolfgang Goethe University, Germany | Influence of the BSSE Effects on the Ground State of H‑bonded Organic Complexes of Photochemical Relevance. Methyl 4‑N,N‑Dimethylaminobenzoate * (H 2O)n, n=1,2 Example. |
2006, Feb. 27 | Prof. Dr. Jesus M. Ugalde | Kimika Fakultatea, Euskal Herriko Unibertsitatea, Donostia, Spain | Non‑Born‑Oppenheimer confined molecular hydrogen. Insights from an exactly solvable realistic model |
2006, Feb. 15 | Dr. Robert Berger | Frankfurt Institute for Advanced Studies, Johann Wolfgang Goethe University, Germany | Density Functional Theory Part 3 |
2006, Feb. 08 | Maxim Zakharov | Institute of Physical and Theoretical Chemistry, Johann Wolfgang Goethe University, Germany | Density Functional Theory Part 2 |
2006, Feb. 01 | Guido Laubender | Frankfurt Institute for Advanced Studies, Johann Wolfgang Goethe University, Germany | Density Functional Theory Part 1 |
2006, Jan. 11 | Dr. Andreas Dreuw | Institute of Physical and Theoretical Chemistry, Johann Wolfgang Goethe University, Germany | Møller‑Plesset Perturbation Theory |
2005, Dec. 21 | Dr. Riccarda Caputo | MPI for Polymer Research, Mainz, Germany | Adsorption on metal surfaces using density functional theory |
2005, Dec. 14 | Dr. Jason L. Stuber | Frankfurt Institute for Advanced Studies, Johann Wolfgang Goethe University, Germany | Coupled Cluster Part 2 |
2005, Dec. 07 | Michael Wormit | Institute of Physical and Theoretical Chemistry, Johann Wolfgang Goethe University, Germany | Coupled Cluster Part 1 |
2005, Nov. 30 | Dr. Jürgen Stohner | Institute of Chemistry and Biochemistry, Zürich University of Applied Sciences, Winterthur, Switzerland | Parity Violation in Chiral Molecules: Facts and Speculation |
2005, Nov. 23 | Jan Hendrik Starcke | Institute of Physical and Theoretical Chemistry, Johann Wolfgang Goethe University, Germany | Configuration Interaction Part 2 |
2005, Nov. 16 | Hans‑Christian Jankowiak | Frankfurt Institute for Advanced Studies, Johann Wolfgang Goethe University, Germany | Configuration Interaction Part 1 |
2005, Nov. 09 | Sophie Nahrwold | Frankfurt Institute for Advanced Studies, Johann Wolfgang Goethe University, Germany | Hartree‑Fock Part 2 |
2005, Nov. 02 | Jürgen Plötner | Institute of Physical and Theoretical Chemistry, Johann Wolfgang Goethe University, Germany | Hartree‑Fock Part 1 |
2005, Aug. 03 | Prof. Dr. Kenneth Ruud | Department of Chemistry, University of Tromsø, Norway | Toward the ab initio calculation of chiroptical properties of large molecules |