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Ligne 11 : | Ligne 11 : | ||
|- | |- | ||
! 9:00 - 9:30 | ! 9:00 - 9:30 | ||
− | | || Pal || Broer | + | | || Pal || Broer || Graovac || Minot |
|- | |- | ||
! 9:30 - 10:00 | ! 9:30 - 10:00 | ||
− | | || Scuseria || Daul | + | | || Scuseria || Daul || Martin Pendas || Markovits |
|- | |- | ||
! 10:00 - 10:30 | ! 10:00 - 10:30 | ||
− | | || Bultinck || Helgaker | + | | || Bultinck || Helgaker || Cardenas || Chen |
|- | |- | ||
! 10:30 - 11:00 | ! 10:30 - 11:00 | ||
− | | || '''Break''' || '''Break''' | + | | || '''Break''' || '''Break''' || '''Break''' || '''Break''' |
|- | |- | ||
! 11:00 - 11:30 | ! 11:00 - 11:30 | ||
− | | || Okopinska || Yang | + | | || Okopinska || Yang || Wesolowski || Fuentealba |
|- | |- | ||
! 11:30 - 12:00 | ! 11:30 - 12:00 | ||
− | | || Cioslowski || Grabowski | + | | || Cioslowski || Grabowski || Causa || Witek |
|- | |- | ||
! 12:00 - 12:30 | ! 12:00 - 12:30 | ||
− | | || van Aggelen || Baer | + | | || van Aggelen || Baer || Frauenheim || Derat |
|- | |- | ||
! 12:30 - 13:00 | ! 12:30 - 13:00 | ||
− | | || Piris || Ernzerhof | + | | || Piris || Ernzerhof || Ayers || Salahub |
|- | |- | ||
! 13:00 - 15:00 | ! 13:00 - 15:00 | ||
− | | || '''Lunch''' || '''Lunch''' | + | | || '''Lunch''' || '''Lunch''' || '''Lunch''' || '''Lunch''' |
|- | |- | ||
! 15:00 - 15:30 | ! 15:00 - 15:30 | ||
− | | || Borgis || | + | | || Borgis || '''Excursion to Patan''' || Cederbaum ? || '''Excursion to Bodhnath''' |
|- | |- | ||
− | ! 15:30 - 16:00 | + | ! 15:30 - 16:00 |
− | | || Dobson || | + | | || Dobson || || Chan || |
|-Chan? | |-Chan? | ||
! 16:00 - 16:30 | ! 16:00 - 16:30 | ||
− | | '''Welcome''' || Kronik || | + | | '''Welcome''' || Kronik || || Gross ? || |
|- | |- | ||
! 16:30 - 17:00 | ! 16:30 - 17:00 | ||
− | | || Carniato || | + | | || Carniato || || Görling || |
|- | |- | ||
! 17:00 - 17:30 | ! 17:00 - 17:30 | ||
− | | '''Opening''' || '''Break''' || | + | | '''Opening''' || '''Break''' || || '''Break''' || |
|- | |- | ||
! 17:30 - 18:00 | ! 17:30 - 18:00 | ||
− | | Malrieu || Hiberty || | + | | Malrieu || Hiberty || || Calaminici || |
|- | |- | ||
! 18:00 - 18:30 | ! 18:00 - 18:30 | ||
− | | Harris || Braida || | + | | Harris || Braida || || Russo || |
|-Broer | |-Broer | ||
! 18:30 - 19:00 | ! 18:30 - 19:00 | ||
− | | Mukherjee || Schwerdtfeger || | + | | Mukherjee || Schwerdtfeger || || Chermette || |
|- | |- | ||
! 19:00 - 19:30 | ! 19:00 - 19:30 | ||
− | | Schwarz || Liu || | + | | Schwarz || Liu || || '''Discussions / Posters''' || |
|- | |- | ||
! 20:00 - 20:30 | ! 20:00 - 20:30 | ||
− | | || || | + | | || || || || |
|- | |- | ||
! 20:30 - | ! 20:30 - | ||
− | | || || | + | | || || || '''Conference dinner''' || |
|- | |- | ||
|} | |} |
Version du 21 janvier 2012 à 16:14
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
- 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
- Ria Broer: First principles Studies of Magnetic Interactions in Molecules and Solids
- Patrick Bultinck: Chemical verification of new quantum chemical methods
- Patrizia Calaminici: Finite Systems Properties from Born-Oppenheimer Molecular Dynamics
- Carlos Cardenas: Navigating the Hard-Soft Acids-Bases Principle
- Stephane Carniato: How RIXS and theory can be combined to measure the electronegativity
- Mauro Causa: Locality and non-locality. It is possible to cut a system governed by quantum mechanics
- Garnet Chan: Quantum embedding theories
- Henry Chermette: The Gradient-Regulated Connection of Generalized Gradient Exchange Functionals: interest and limitations
- Guanhua Chen: Penetrating a potential barrier one hundred percent
- Jerzy Cioslowski: 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: Dispersion Forces
- Matthias Ernzerhof: Non-Hermitian quantum mechanics and density functional theory
- Thomas Frauenheim: DFTB - Recent methodological extensions, applications and challenges
- Patricio Fuentealba: The richness of the dynamics of clusters and molecules
- Andreas Gorling: The adiabatic-connection dissipation-fluctuation theorem as route to a new generation of density-functional methods: perspectives and challenges
- Irek Grabowski: Impact of the correlation effects on the KS DFT potentials, energies and densities
- Ante Graovac: On topology versus geometry in molecules
- Frank Harris: Fully Correlated Wavefunctions for Small Atoms
- Trygve Helgaker: The universal density functional in external magnetic field
- Philippe Hiberty: Valence Bond Theory and Reactivity: Correlation Between the Diradical Character of 1,3-Dipoles and their Reactivity Toward Ethylene and Acetylene
- Leeor Kronik: Understanding photoelectron spectroscopy from first principles - progress and challenges
- Wenjian Liu: Relativistic correlation
- Jean-Paul Malrieu: Scale changes and reduction of the degrees of freedom in wave-function calculations
- Alexis Markovits: The Active Role of the Surface in Heterogeneous Catalysis
- Ángel Martín Pendás: Fluctuation of electron populations and chemical bonding
- Christian Minot: Reducibility of metal oxides
- Debashis Mukherjee: Reflections on interplay of dynamical and static correlations : paradigms and approaches
- Anna Okopinska: Entanglement in natural and artificial atoms and molecules
- Sourav Pal: Coupled cluster theory: stationary or non-stationary?
- 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
- Peter Schwerdtfeger: Beyond the Periodic Table – Going for the Superheavy Elements
- 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
- Henryk Witek: Exact solution of Schrodinger equation for helium: how far are we?
- Weitao Yang: Fukui functions: Analytic evaluation and new exact conditions from the flat plans.
Abstracts
The abstracts will be uploaded soon
Mt Everest, Lhotse and Cholatse seen from Renjo La