 7 May 2010
Speaker:Igor Bodrenko
from Moscow State University
Title:
"Theoretical study of hydrogen storage in modified carbon-based
nanostructured materials" |
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22 Apr 2010
Speaker:Manuel Perez Jigato
from KU Leuven/IKS, Belgium
Title:
"First-Principles electronic and vibrational properties of Pb(111) thin films" |
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9 Apr 2010
Speaker:Dr. Federico Iori
from Paris
Title:
"Low energy excitation in V2O3: what we can learn from first principle
calculations" |
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10 MAR 2010
Speaker: Aleksandrs Terentjevs Politecnico of Torino
from Torino, Italy
Title:
"First principles investigations of InN non-polar surfaces and nanowires" |
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10 Feb 2010
Speaker:Timo Gimon
from Erlangen
Title:
"Optimized Effective Potential Methods" |
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27 Jan 2010 , 15:30
Speaker:Dr. Silvia Gentilini
Title:
"Impulsi luminosi ultra-corti in strutture tridimensionali disordinate e Localizzazione di Anderson"
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10 Sept 2009 , 15:30
Speaker:Loriano Storchi
Title:
"High Performace Computing in Chemistry" |
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16 Dec 2009 , 15:30
Speaker:Akhilesh Tanwar
Title:
"Reactivity Theory: Density Based Reactivity Descriptors and their applications"
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6th July 2009, 15.30.
Speaker:Andrey Ipatov
(Erlagen, germany)
Title:Many-particle effects in excitation spectra of finite fermionic systems :
microscopic metallic clusters and molecules. |
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30 Jul 2009 , 10.30.
Speaker:Marek Sierka
(Humboldt University, Berlin)
Title:
"The Present and Future of Solid-State Methods within the TURBOMOLE
Program Package" |
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Tuesday 20 Jan 2009 , 15.30.
Speaker:Maria Chiare Pastore (Dip. Chimica, Univ. Ferrara)
Title:Multireference Perturbation Theories for the accurate calculation of
energy and molecular properties |
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17 of Dicember 2008
Speaker:Stefano Corni (Università di Modena e Reggio Emilia)
Title: A polarizable continuum model for studying surface enhanced optical properties of moleculesls |
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06 of November 2008
Speaker:Filippo De Angelis (ISTM-CNR, Perugia)
Title: Ab initio modeling of dye-sensitized solar cells |
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06 of November 2008
Speaker:Leonardo Belpassi(ISTM-CNR, Perugia)
Title: All-electron four-component Dirac-Kohn-Sham procedure for large
molecules and clusters containing heavy elements |
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7 of May 2008
Speaker: Dr. Indranil Rudra(Department of Chemistry, Massachusetts Institute of Technology)
Title: Quantum-chemical modeling of the impact of orientation on charge separation
and recombination in Pentacene-C60 donor-acceptor pair |
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21 of Febrary 2008
Speaker: Dr. David Martin (Department of Physics and
Surface Science. Research Centre of Liverpool University)
Title: Current investigations of interactions at surfaces involving
biomolecules and biofilms |
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12 of June 2007 at 10.00h
Speaker: Dr. Tugba Tugsuz (Hacettepe University, Ankara, Turkey)
Title: A Theoretical Investigation on the Adsorption of Heavy Metals on Zeolite and Dye Clusters |
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28th of May 2007
Speaker:
Dr. Christian Diedrich (University of Warwick,
U.K.)
Title: Ligand field theory meets force fields- On the
computational treatment of copper type 3 enzymes. |
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2nd of May 2005 at 15.00h
Speaker: Prof.
Stefano Sanvito (Physics Department, Trinity College, Dublin 2, Ireland)
Title: Transporting
spins through molecules |
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13th of May 2005 at 15.00h
Speaker: Dr. Letizia Chiodo (Roma,
University Tor Vergata, Italy)
Title: Ab initio calculations of electronic and optical properties: theory and applications |
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20th of May 2005 at 12.00h
Speaker: Dr.
Thomas Niehaus (DKFZ, Heidelberg, Germany)
Title: Approximate density functional
theory and its application in molecular physics and biology |
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25th of May 2005
Speaker: Dr. Gianandrea Mannarini(Pisa,
University of Pisa, Italy)
Title: Disorder, Dephasing, and Speckles in Semiconductor Quantum Wells |
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22th of September 2005 at 16.00h
Speaker: Prof. Vincenzo Barone (Napoli, University Federico II, Italy)
Title: Computation of reliable
spectroscopic parameters: from isolated molecules to condensed phases |
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22th of September 2005 at 17.00h
Speaker: Dr. Giuseppe Brancato (Napoli, University
Federico II, Italy)
Title: Spectroscopic properties
in liquid phases: combining high level ab-initio calculation and classical molecular dynamics |
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25th of October 2005 at 17.00h
Speaker: Dr. Manuel Piacenza (Munster, Germany)
Title: Van der Waals complexes of polar aromatic molecules:
Unexpected structures for dimmers of Pyridine and Azulene |
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7th of December 2005
Speaker: Dr. Martin Weimer (Lehrstuhl fur Theoretische Chemie
Universitat Erlangen - Nurnberg)
Title: The Localized Hartree-Fock Method -
Applications and the Treatment of static
Correlation |
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