Seminars 2016
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10.02.2016 |
5D2 |
Edgar Solomonik |
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Department of Computer Science, ETH Zurich, Switzerland |
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A massively-parallel tensor framework |
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11.02.2016 |
4D2 |
Negar Ashari Astani |
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Laboratory of Computational Biochemistry and Chemistry (LCBC), Swiss Federal Institute of Technology (EPFL), Lausanne, Switzerland |
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Computational Studies fort he Characterization and Design of Dye-Sensitized and Perovskite-based Solar Cells with Improved Efficiencies |
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14.04.2016 |
7D2 |
Sandra Luber |
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University of Zurich, Switzerland |
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Computational Investigation and Design of Co(II)-based Water Oxidation catalysts |
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28.04.2016 |
4D2 |
Kizashi Yamaguchi |
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Institute for Nano Science Design, Osaka University, Japan |
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Geometric, Electronic and Spin Structures oft he CaMn4O5 clusterin the oxygen Evolving Complex of Photosystem II |
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03.05.2016 |
4D2 |
Adam Holmes |
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Theoretical Physics, Cornell University, New York, U.S.A. |
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Efficient Heat-bath Sampling in Fock Space |
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04.05.2016 |
7D2 |
Peter Schwerdtfeger |
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Centre for Theoretical Chemistry and Physics (CTCP), The New Zealand Institute for Advanced Study (NZIAS), Massey University Auckland, New Zealand |
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From Graphene to Graphyne, Fullerenes, Fulleroids, Gaudienes and their Golden Duals |
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12.05.2016 |
4D2 |
Andrew Peterson |
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Brown University, Rhode Island, U.S.A. |
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Atomistic methods in electrocatalysis development |
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14.06.2016 |
7D2 |
Emmanuel Giner |
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Universita di Ferrara, Italy |
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Overview of some specific features regarding the electronic correlation problem in open shell systems |
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17.06.2016 |
4D2 |
Ji Chen |
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University College London, United Kingdom |
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Interfacial and confined water: structure, phase transitions and dynamics |
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28.06.2016 |
7D2 |
Audrius Alkauskas |
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Center for Physical Sciences and Technology, Vilniius, Lithuania |
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First principles theory of radiative anf non-radiatice carrier capture processes at point defects |
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07.07.2016 |
4D2 |
David Tew |
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University of Bristol, United Kingdom |
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Accurate wavefunctions for large molecular systems |
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27.07.2016 |
4D2 |
Matteo Barborini |
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National Research Council of Italy (Institute of Nanoscience (CNR-NANO), Modena, Italy |
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Correlationeffects in STM and ARPES: evaluating frontier Dyson orbitals through quantm Monte Carlo |
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28.07. 2016 |
4D2 |
Aron Cohen |
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Department of Chemistry, University of Cambridge, United Kingdom |
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The exact density functional and real-space wavefunctions |
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22.09.2016 |
4D2 |
Nikolaj Moll |
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IBM Research, Zurich, Switzerland |
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Quantum Simulations with Superconducting Qubits |
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03.11.2016 |
4D2 |
Akbar Jafari |
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Fakultät für Physik, Universität Duisburg-Essen, Duisburg, Germany |
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Weak and strong correlations in Dirac systems |
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16.11.2016 |
7D2 |
Frank Neese |
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Director at MPI for Chemical Energy Conversion (CEC), Mülheim an der Ruhr, Germany |
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Systematically approaching the full CI limit with an iterative configuration expansion algorithm |
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17.11.2016 |
4D2 |
Gerit Brandenburg |
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University College London, United Kingdom |
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Development and application of ‚low-cost’ dispersion corrected density functional methods |
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24.11.2016 |
4D2 |
Kristine Pierloot |
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University of KU Leuven, Belgium |
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Accurate computations of spin state energetics in first-row transition metal systems |
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08.12.2016
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4D2 |
Pablo Lopez-Rios |
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University of Cambridge, United Kingdom |
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Exploiting prior knowledge in the statistical analysis of quantum Monte Carlo simulations |