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|-
 
|-
 
! 9:00 - 9:30  
 
! 9:00 - 9:30  
−
|                    ||  Pal          || Broer           ||  Graovac                  || Minot
+
|                    ||  Pal          || Broer                     ||  Graovac                  || Minot
 
|-
 
|-
 
! 9:30 - 10:00
 
! 9:30 - 10:00
−
|                    ||  Scuseria      || Daul           ||  Martin Pendas            || Markovits
+
|                    ||  Scuseria      || Daul                       ||  Martin Pendas            || Markovits
 
|-
 
|-
 
! 10:00 - 10:30
 
! 10:00 - 10:30
−
|                    ||  Bultinck      || Helgaker       ||  Cardenas                || Chen
+
|                    ||  Bultinck      || Helgaker                   ||  Cardenas                || Chen
 
|-
 
|-
 
! 10:30 - 11:00
 
! 10:30 - 11:00
−
|                    || '''Break'''    || '''Break'''     || '''Break'''                || '''Break'''
+
|                    || '''Break'''    || '''Break'''               || '''Break'''                || '''Break'''
 
|-
 
|-
 
! 11:00 - 11:30
 
! 11:00 - 11:30
−
|                    ||  Okopinska      || Yang           ||  Wesolowski                || Fuentealba
+
|                    ||  Okopinska      || Yang                       ||  Wesolowski                || Fuentealba
 
|-  
 
|-  
 
! 11:30 - 12:00
 
! 11:30 - 12:00
−
|                    ||  Cioslowski    || Grabowski               ||  Causa                    || Witek
+
|                    ||  Cioslowski    || Grabowski                 ||  Causa                    || Witek
 
|-
 
|-
 
! 12:00 - 12:30
 
! 12:00 - 12:30
−
|                    ||  van Aggelen    || Baer                     ||  Frauenheim                || Derat
+
|                    ||  van Aggelen    || Baer                       ||  Frauenheim                || Derat
 
|-  
 
|-  
 
! 12:30 - 13:00
 
! 12:30 - 13:00
−
|                    ||  Piris        || Ernzerhof               || Ayers                      || Salahub
+
|                    ||  Piris        || Ernzerhof                 || Ayers                      || Salahub
 
|-
 
|-
 
!  13:00 - 15:00
 
!  13:00 - 15:00
−
|                    || '''Lunch'''    || '''Lunch'''             || '''Lunch'''                 || '''Lunch'''
+
|                    || '''Lunch'''    || '''Lunch'''               || '''Lunch'''               || '''Lunch'''
 
|-
 
|-
 
! 15:00 - 15:30
 
! 15:00 - 15:30
−
|                    || Borgis          ||   '''Excursion to Patan'''       ||       Cederbaum ?         || '''Excursion to Bodhnath'''
+
|                    || Borgis          || '''Excursion to Patan''' || Cederbaum ?               || '''Excursion to Bodhnath'''
 
|-
 
|-
−
! 15:30 - 16:00
+
! 15:30 - 16:00  
−
|                    ||    Dobson      ||         ||       Chan                       ||  
+
|                    ||    Dobson      ||                           || Chan                       ||  
 
|-Chan?
 
|-Chan?
 
! 16:00 - 16:30
 
! 16:00 - 16:30
−
|  '''Welcome'''      ||    Kronik      ||         ||           Gross ?                   ||
+
|  '''Welcome'''      ||    Kronik      ||                           || Gross ?                   ||
 
|-
 
|-
 
! 16:30 - 17:00
 
! 16:30 - 17:00
−
|                    ||    Carniato    ||       ||         Chermette                  ||  
+
|                    ||    Carniato    ||                           || Görling                    ||  
 
|-
 
|-
 
! 17:00 - 17:30
 
! 17:00 - 17:30
−
| '''Opening'''      ||    '''Break'''  ||     ||         '''Break'''                     ||  
+
| '''Opening'''      ||    '''Break'''  ||                           || '''Break'''               ||  
 
|-
 
|-
 
! 17:30 - 18:00
 
! 17:30 - 18:00
−
|  Malrieu            ||    Hiberty    ||         ||         Calaminici                     ||  
+
|  Malrieu            ||    Hiberty    ||                           || Calaminici                 ||  
 
|-
 
|-
 
! 18:00 - 18:30
 
! 18:00 - 18:30
−
|  Harris            ||  Braida        ||           ||       Russo         ?        ||  
+
|  Harris            ||  Braida        ||                           || Russo                     ||  
 
|-Broer
 
|-Broer
 
! 18:30 - 19:00
 
! 18:30 - 19:00
−
|  Mukherjee          ||  Schwerdtfeger  ||           ||       Görling                    ||  
+
|  Mukherjee          ||  Schwerdtfeger  ||                           || Chermette                  ||  
 
|-
 
|-
 
! 19:00 - 19:30
 
! 19:00 - 19:30
−
|  Schwarz            ||  Liu            ||               ||   '''Discussions / Posters'''                         ||  
+
|  Schwarz            ||  Liu            ||                           || '''Discussions / Posters''' ||  
 
|-
 
|-
 
! 20:00 - 20:30  
 
! 20:00 - 20:30  
−
|                    ||                ||                 ||                   ||  
+
|                    ||                ||                           ||                             ||  
 
|-
 
|-
 
! 20:30 -  
 
! 20:30 -  
−
|                    ||                ||                 ||           '''Conference dinner'''         ||  
+
|                    ||                ||                           || '''Conference dinner'''     ||  
 
|-
 
|-
 
|}
 
|}

Version du 21 janvier 2012 à 16:14

P3.jpg

Bodhnath Stupa

Schedule (will be modified)

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 Witek
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 Cederbaum ? Excursion to Bodhnath
15:30 - 16:00 Dobson Chan
16:00 - 16:30 Welcome Kronik Gross ?
16:30 - 17:00 Carniato Görling
17:00 - 17:30 Opening Break Break
17:30 - 18:00 Malrieu Hiberty Calaminici
18:00 - 18:30 Harris Braida Russo
18:30 - 19:00 Mukherjee Schwerdtfeger Chermette
19:00 - 19:30 Schwarz Liu Discussions / Posters
20:00 - 20:30
20:30 - Conference dinner

Speakers and titles of the talks

  1. Helen van Aggelen: Variational optimization of second order density matrices for chemistry
  2. Paul Ayers: What Should One Do When Electronic Structure Methods Aren’t Good Enough? Machine-Learning Methods for Molecular Properties
  3. Roi Baer: Dogmatic and Pragmatic Spirits in Density Functional Theory
  4. Daniel Borgis: Classical Density Functional Theory and its Application to Chemistry
  5. Benoit Braida: Recent trends in ab initio Valence Bond methods
  6. Ria Broer: First principles Studies of Magnetic Interactions in Molecules and Solids
  7. Patrick Bultinck: Chemical verification of new quantum chemical methods
  8. Patrizia Calaminici: Finite Systems Properties from Born-Oppenheimer Molecular Dynamics
  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. Garnet Chan: Quantum embedding theories
  13. Henry Chermette: The Gradient-Regulated Connection of Generalized Gradient Exchange Functionals: interest and limitations
  14. Guanhua Chen: Penetrating a potential barrier one hundred percent
  15. Jerzy Cioslowski: All you always wanted to know about many-electron harmonium atoms
  16. Claude Daul: Prediction of single-molecular magnets with open d- or f-shells by theoretical calculations
  17. Etienne Derat: Models for complex bioinorganic systems: a tool for future design?
  18. John Dobson: Dispersion Forces
  19. Matthias Ernzerhof: Non-Hermitian quantum mechanics and density functional theory
  20. Thomas Frauenheim: DFTB - Recent methodological extensions, applications and challenges
  21. Patricio Fuentealba: The richness of the dynamics of clusters and molecules
  22. Andreas Gorling: The adiabatic-connection dissipation-fluctuation theorem as route to a new generation of density-functional methods: perspectives and challenges
  23. Irek Grabowski: Impact of the correlation effects on the KS DFT potentials, energies and densities
  24. Ante Graovac: On topology versus geometry in molecules
  25. Frank Harris: Fully Correlated Wavefunctions for Small Atoms
  26. Trygve Helgaker: The universal density functional in external magnetic field
  27. Philippe Hiberty: Valence Bond Theory and Reactivity: Correlation Between the Diradical Character of 1,3-Dipoles and their Reactivity Toward Ethylene and Acetylene
  28. Leeor Kronik: Understanding photoelectron spectroscopy from first principles - progress and challenges
  29. Wenjian Liu: Relativistic correlation
  30. Jean-Paul Malrieu: Scale changes and reduction of the degrees of freedom in wave-function calculations
  31. Alexis Markovits: The Active Role of the Surface in Heterogeneous Catalysis
  32. Ángel Martín Pendás: Fluctuation of electron populations and chemical bonding
  33. Christian Minot: Reducibility of metal oxides
  34. Debashis Mukherjee: Reflections on interplay of dynamical and static correlations : paradigms and approaches
  35. Anna Okopinska: Entanglement in natural and artificial atoms and molecules
  36. Sourav Pal: Coupled cluster theory: stationary or non-stationary?
  37. Mario Piris: Can NOFT bridge the gap between DFT and WFT?
  38. Dennis Salahub: Electron transfer and other reactions in proteins – towards an understanding of the effects of quantum decoherence
  39. W.H.E. Schwarz: Descriptive and Explanative Concepts of Theory for Chemistry
  40. Peter Schwerdtfeger: Beyond the Periodic Table – Going for the Superheavy Elements
  41. Gustavo Scuseria: Symmetry breaking & restoration
  42. Tomasz Wesolowski: Joining seamlessly microscopic and macroscopic levels of description of matter: challenges and perspectives for modelling methods based on Frozen-Density Embedding Theory
  43. Henryk Witek: Exact solution of Schrodinger equation for helium: how far are we?
  44. 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

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