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* Patrick Bultinck        [mailto:Patrick.Bultinck@UGent.be email]
 
* Patrick Bultinck        [mailto:Patrick.Bultinck@UGent.be email]
 
* Ramon Carbó-Dorca      [mailto:quantumqsar@hotmail.com email]
 
* Ramon Carbó-Dorca      [mailto:quantumqsar@hotmail.com email]
 +
* Carlos Cardenas        [mailto:cacarden@gmail.com email]
 
* Mauro Causa            [mailto:mauro.causa@unina.it email]
 
* Mauro Causa            [mailto:mauro.causa@unina.it email]
 +
* Guanhua Chen            [mailto:ghc.hku@gmail.com email]
 
* Jerzy Cioslowsky        [mailto:jerzy@wmf.univ.szczecin.pl email]
 
* Jerzy Cioslowsky        [mailto:jerzy@wmf.univ.szczecin.pl email]
 
* Claude Daul            [mailto:claude.daul@unifr.ch email]
 
* Claude Daul            [mailto:claude.daul@unifr.ch email]
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* John Dobson            [mailto:john12dobson@gmail.com email]
 
* John Dobson            [mailto:john12dobson@gmail.com email]
 
* Matthias Ernzerhof      [mailto:Matthias.Ernzerhof@umontreal.ca email]
 
* Matthias Ernzerhof      [mailto:Matthias.Ernzerhof@umontreal.ca email]
* Thomas Fraeunheim       [mailto:thomas.frauenheim@bccms.uni-bremen.de email]
+
* Thomas Frauenheim       [mailto:thomas.frauenheim@bccms.uni-bremen.de email]
 +
* Patricio Fuentealba    [mailto:pfuentea@hotmail.es email]
 
* Trygve Helgaker        [mailto:t.u.helgaker@kjemi.uio.no email]
 
* Trygve Helgaker        [mailto:t.u.helgaker@kjemi.uio.no email]
 
* Philippe Hiberty        [mailto:philippe.hiberty@u-psud.fr email]
 
* Philippe Hiberty        [mailto:philippe.hiberty@u-psud.fr email]
 
* Jacek Karwowski        [mailto:jka@fizyka.umk.pl email]
 
* Jacek Karwowski        [mailto:jka@fizyka.umk.pl email]
 
* Wenjian Liu            [mailto:liuwjbdf@gmail.com email]
 
* Wenjian Liu            [mailto:liuwjbdf@gmail.com email]
 +
* Alexis Markovits        [mailto:alexis@lct.jussieu.fr email]
 
* Christian Minot        [mailto:christian.minot@lct.jussieu.fr email]
 
* Christian Minot        [mailto:christian.minot@lct.jussieu.fr email]
 
* Debashis Mukherjee      [mailto:pcdm@iacs.res.in email]
 
* Debashis Mukherjee      [mailto:pcdm@iacs.res.in email]
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* Kalidas Sen            [mailto:kalidas.sen@gmail.com email]
 
* Kalidas Sen            [mailto:kalidas.sen@gmail.com email]
 
* Tomasz Wesolowski      [mailto:Tomasz.Wesolowski@unige.ch email]
 
* Tomasz Wesolowski      [mailto:Tomasz.Wesolowski@unige.ch email]
 +
* Weitao Yang            [mailto:yang@chem.duke.edu email]
  
  
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* Daniel Borgis:          Classical Density Functional Theory and its Application to Chemistry
 
* Daniel Borgis:          Classical Density Functional Theory and its Application to Chemistry
 
* Benoit Braida:          Recent trends in ab initio Valence Bond methods
 
* Benoit Braida:          Recent trends in ab initio Valence Bond methods
* Patrick Bultinck:        TBA
+
* Patrick Bultinck:        Chemical verification of new quantum chemical methods
 +
* Carlos Cardenas:        Navigating the Hard-Soft Acids-Bases Principle
 
* Mauro Causa:            Locality and non-locality. It is possible to cut a system governed by quantum mechanics
 
* Mauro Causa:            Locality and non-locality. It is possible to cut a system governed by quantum mechanics
 +
* Guanhua Chen:            Penetrating a potential barrier one hundred percent
 
* Jerzy Cioslowsky:        All you always wanted to know about many-electron harmonium atoms
 
* Jerzy Cioslowsky:        All you always wanted to know about many-electron harmonium atoms
 
* Claude Daul:            Prediction of single-molecular magnets with open d- or f-shells by theoretical calculations
 
* Claude Daul:            Prediction of single-molecular magnets with open d- or f-shells by theoretical calculations
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* Matthias Ernzerhof:      Non-Hermitian quantum mechanics and density functional theory
 
* Matthias Ernzerhof:      Non-Hermitian quantum mechanics and density functional theory
 
* Thomas Frauenheim:      TBA
 
* Thomas Frauenheim:      TBA
 +
* Patricio Fuentealba:    The richness of the dynamics of clusters and molecules
 
* Trygve Helgaker:        Density-functional theory in magnetic fields
 
* Trygve Helgaker:        Density-functional theory in magnetic fields
 
* Philippe Hiberty:        Valence Bond Theory and Reactivity: Correlation Between the Diradical Character of 1,3-Dipoles and their Reactivity Toward Ethylene and Acetylene
 
* Philippe Hiberty:        Valence Bond Theory and Reactivity: Correlation Between the Diradical Character of 1,3-Dipoles and their Reactivity Toward Ethylene and Acetylene
 
* Wenjian Liu:            Relativistic correlation
 
* Wenjian Liu:            Relativistic correlation
 +
* Alexis Markovits:                  The Active Role of the Surface in Heterogeneous Catalysis
 
* Christian Minot:        Reducibility of metal oxides
 
* Christian Minot:        Reducibility of metal oxides
 
* Debashis Mukherjee:      Reflections on interplay of dynamical and static correlations : paradigms and approaches
 
* Debashis Mukherjee:      Reflections on interplay of dynamical and static correlations : paradigms and approaches
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* Gustavo Scuseria:        Symmetry breaking & restoration
 
* Gustavo Scuseria:        Symmetry breaking & restoration
 
* Tomasz Wesolowski:      Joining seamlessly microscopic and macroscopic levels of description of matter: challenges and perspectives for modelling methods based on Frozen-Density Embedding Theory
 
* Tomasz Wesolowski:      Joining seamlessly microscopic and macroscopic levels of description of matter: challenges and perspectives for modelling methods based on Frozen-Density Embedding Theory
 +
* Weitao Yang:            TBA
  
 
'''[[Practical information for the Kathmandu Workshop 2012|Practical information]]''' (hotel)
 
'''[[Practical information for the Kathmandu Workshop 2012|Practical information]]''' (hotel)

Dernière version du 23 septembre 2011 à 19:44

Kathmandu 2012 Workshop on Theoretical Chemistry: Atoms, molecules and solids: models and concepts

Program:

  • 30 April 2012: Arrival
  • 4 May 2012: Departure


Participants :


Talks :

  • Helen van Aggelen: Variational optimization of second order density matrices for chemistry
  • Paul Ayers: What Should One Do When Electronic Structure Methods Aren’t Good Enough? Machine-Learning Methods for Molecular Properties
  • Roi Baer: Dogmatic and Pragmatic Spirits in Density Functional Theory
  • Daniel Borgis: Classical Density Functional Theory and its Application to Chemistry
  • Benoit Braida: Recent trends in ab initio Valence Bond methods
  • Patrick Bultinck: Chemical verification of new quantum chemical methods
  • Carlos Cardenas: Navigating the Hard-Soft Acids-Bases Principle
  • Mauro Causa: Locality and non-locality. It is possible to cut a system governed by quantum mechanics
  • Guanhua Chen: Penetrating a potential barrier one hundred percent
  • Jerzy Cioslowsky: All you always wanted to know about many-electron harmonium atoms
  • Claude Daul: Prediction of single-molecular magnets with open d- or f-shells by theoretical calculations
  • Etienne Derat: Models for complex bioinorganic systems: a tool for future design?
  • John Dobson: TBA (vdW)
  • Matthias Ernzerhof: Non-Hermitian quantum mechanics and density functional theory
  • Thomas Frauenheim: TBA
  • Patricio Fuentealba: The richness of the dynamics of clusters and molecules
  • Trygve Helgaker: Density-functional theory in magnetic fields
  • Philippe Hiberty: Valence Bond Theory and Reactivity: Correlation Between the Diradical Character of 1,3-Dipoles and their Reactivity Toward Ethylene and Acetylene
  • Wenjian Liu: Relativistic correlation
  • Alexis Markovits: The Active Role of the Surface in Heterogeneous Catalysis
  • Christian Minot: Reducibility of metal oxides
  • Debashis Mukherjee: Reflections on interplay of dynamical and static correlations : paradigms and approaches
  • Mario Piris: Can NOFT bridge the gap between DFT and WFT?
  • Dennis Salahub: Electron transfer and other reactions in proteins – towards an understanding of the effects of quantum decoherence
  • W.H.E. Schwarz:
                          Descriptive and Explanative Concepts of Theory for Chemistry /
                          Unusual Bonding by the 5f-6d-6p-7s Valence Shell of Actinoids
  • Peter Schwerdtfeger:
                          High Pressure Simulations – Squeezing the Hell out of Atoms / 
                          TOWARDS THE FIRST MEASUREMENT OF PARITY VIOLATION IN CHIRAL MOLECULES – NEW ATTEMPTS AND FUTURE PROSPECTIVE / 
                          Toward an Accurate Description of Rare Gas Phases / 
                          Beyond the Periodic Table – Going for the Superheavy Elements / 
                          The Pseudopotential Approximation / 
                          Bound state quantum electrodynamics for the valence shell in heavy many-electron atoms/
                          Beyond the Standard Model - the Variation of Fundamental Constants in Space-Time
  • Gustavo Scuseria: Symmetry breaking & restoration
  • Tomasz Wesolowski: Joining seamlessly microscopic and macroscopic levels of description of matter: challenges and perspectives for modelling methods based on Frozen-Density Embedding Theory
  • Weitao Yang: TBA

Practical information (hotel)