Discussion:Kathmandu Workshop 2012
Révision datée du 23 septembre 2011 à 19:44 par Couret (discussion | contributions)
Kathmandu 2012 Workshop on Theoretical Chemistry: Atoms, molecules and solids: models and concepts
Program:
- 30 April 2012: Arrival
- 4 May 2012: Departure
Participants :
- Helen van Aggelen email
- Paul Ayers email
- Roi Baer email
- Daniel Borgis email
- Benoit Braida email
- Patrick Bultinck email
- Ramon Carbó-Dorca email
- Carlos Cardenas email
- Mauro Causa email
- Guanhua Chen email
- Jerzy Cioslowsky email
- Claude Daul email
- Etienne Derat email
- John Dobson email
- Matthias Ernzerhof email
- Thomas Frauenheim email
- Patricio Fuentealba email
- Trygve Helgaker email
- Philippe Hiberty email
- Jacek Karwowski email
- Wenjian Liu email
- Alexis Markovits email
- Christian Minot email
- Debashis Mukherjee email
- Mario Piris email
- Dennis Salahub email
- Andreas Savin email
- W.H.E. Schwarz email
- Peter Schwerdtfeger email
- Gustavo Scuseria email
- Kalidas Sen email
- Tomasz Wesolowski email
- Weitao Yang email
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)