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|                    || '''Excursion to Patan''' || Borgis          || '''Excursion to Bodhnath''' || '''Departure'''
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|                    || Borgis ||  '''Excursion to Patan'''       ||                             || '''Excursion to Bodhnath'''
 
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|  '''Welcome'''      ||   Kronik                      ||          ||                              ||
 
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| '''Opening'''      ||                         || '''Break'''     ||                              ||  
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| '''Opening'''      ||   '''Break'''                      ||     ||        '''Break'''                     ||  
 
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! 17:30 - 18:00
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|  Malrieu            ||                         || Hiberty         ||                              ||  
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|  Malrieu            ||     Hiberty                      ||        ||                              ||  
 
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|  Harris            ||                         || Braida          ||                              ||  
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|  Harris            || Braida                        ||           ||                              ||  
 
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|-Broer
 
! 18:30 - 19:00
 
! 18:30 - 19:00
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|  Mukherjee          ||                         || Schwerdtfeger  ||                              ||  
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|  Mukherjee          || Schwerdtfeger                        ||     ||                              ||  
 
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|  Schwarz            ||                         || Liu            ||                              ||  
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|  Schwarz            || Liu                        ||               ||                              ||  
 
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! 20:00 -  
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|                    ||                          || '''Conference dinner''' ||                      ||  
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|                    ||                          ||                 ||            '''Conference dinner'''         ||  
 
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== Speakers and titles of the talks ==
 
== Speakers and titles of the talks ==

Version du 16 décembre 2011 à 19:46

P3.jpg

Bodhnath Stupa

Schedule

Monday April 30 Tuesday May 1 Wednesday 2 May Thursday 3 May Friday 4 May
9:00 - 9:30 Pal Broer Graovac Minot
9:30 - 10:00 Scuseria Daul Martin Pendas Markovits
10:00 - 10:30 Bultinck Helgaker Cardenas Chen
10:30 - 11:00 Break Break Break Break
11:00 - 11:30 Okopinska Yang Wesolowski Fuentealba
11:30 - 12:00 Cioslowski Grabowski Causa Alikhani
12:00 - 12:30 van Aggelen Baer Frauenheim Derat
12:30 - 13:00 Piris Ernzerhof Ayers Salahub
13:00 - 15:00 Lunch Lunch Lunch Lunch
15:00 - 15:30 Borgis Excursion to Patan Excursion to Bodhnath
15:30 - 16:00 Dobson
16:00 - 16:30 Welcome Kronik
16:30 - 17:00 Carniato
17:00 - 17:30 Opening Break Break
17:30 - 18:00 Malrieu Hiberty
18:00 - 18:3 Harris Braida
18:30 - 19:00 Mukherjee Schwerdtfeger
19:00 - 19:30 Schwarz Liu
20:00 - Conference dinner

Speakers and titles of the talks

  1. Helen van Aggelen: Variational optimization of second order density matrices for chemistry
  2. Esmail Alikhani: Intermolecular hydrogen bonding and DFT: when does it work?
  3. Paul Ayers: What Should One Do When Electronic Structure Methods Aren’t Good Enough? Machine-Learning Methods for Molecular Properties
  4. Roi Baer: Dogmatic and Pragmatic Spirits in Density Functional Theory
  5. Daniel Borgis: Classical Density Functional Theory and its Application to Chemistry
  6. Benoit Braida: Recent trends in ab initio Valence Bond methods
  7. Ria Broer: First principles Studies of Magnetic Interactions in Molecules and Solids
  8. Patrick Bultinck: Chemical verification of new quantum chemical methods
  9. Carlos Cardenas: Navigating the Hard-Soft Acids-Bases Principle
  10. Stephane Carniato: How RIXS and theory can be combined to measure the electronegativity
  11. Mauro Causa: Locality and non-locality. It is possible to cut a system governed by quantum mechanics
  12. Guanhua Chen: Penetrating a potential barrier one hundred percent
  13. Jerzy Cioslowski: All you always wanted to know about many-electron harmonium atoms
  14. Claude Daul: Prediction of single-molecular magnets with open d- or f-shells by theoretical calculations
  15. Etienne Derat: Models for complex bioinorganic systems: a tool for future design?
  16. John Dobson: Dispersion Forces
  17. Matthias Ernzerhof: Non-Hermitian quantum mechanics and density functional theory
  18. Thomas Frauenheim: DFTB - Recent methodological extensions, applications and challenges
  19. Patricio Fuentealba: The richness of the dynamics of clusters and molecules
  20. Irek Grabowski: Impact of the correlation effects on the KS DFT potentials, energies and densities
  21. Ante Graovac: On topology versus geometry in molecules
  22. Frank Harris: Fully Correlated Wavefunctions for Small Atoms
  23. Trygve Helgaker: The universal density functional in external magnetic field
  24. Philippe Hiberty: Valence Bond Theory and Reactivity: Correlation Between the Diradical Character of 1,3-Dipoles and their Reactivity Toward Ethylene and Acetylene
  25. Leeor Kronik: Understanding photoelectron spectroscopy from first principles - progress and challenges
  26. Wenjian Liu: Relativistic correlation
  27. Jean-Paul Malrieu: Scale changes and reduction of the degrees of freedom in wave-function calculations
  28. Alexis Markovits: The Active Role of the Surface in Heterogeneous Catalysis
  29. Ángel Martín Pendás: Fluctuation of electron populations and chemical bonding
  30. Christian Minot: Reducibility of metal oxides
  31. Debashis Mukherjee: Reflections on interplay of dynamical and static correlations : paradigms and approaches
  32. Anna Okopinska: Entanglement in natural and artificial atoms and molecules
  33. Sourav Pal: Coupled cluster theory: stationary or non-stationary?
  34. Mario Piris: Can NOFT bridge the gap between DFT and WFT?
  35. Dennis Salahub: Electron transfer and other reactions in proteins – towards an understanding of the effects of quantum decoherence
  36. W.H.E. Schwarz: Descriptive and Explanative Concepts of Theory for Chemistry
  37. Peter Schwerdtfeger: Beyond the Periodic Table – Going for the Superheavy Elements
  38. Gustavo Scuseria: Symmetry breaking & restoration
  39. Tomasz Wesolowski: Joining seamlessly microscopic and macroscopic levels of description of matter: challenges and perspectives for modelling methods based on Frozen-Density Embedding Theory
  40. Weitao Yang: Fukui functions: Analytic evaluation and new exact conditions from the flat plans.

Abstracts

The abstracts will be uploaded soon

Ph5.jpg

Mt Everest, Lhotse and Cholatse seen from Renjo La

Récupérée de « https://wiki.lct.jussieu.fr/workshop/index.php?title=Program_of_the_Kathmandu_2012_Workshop&oldid=2844 »