Discussion meetings

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2018

Is a project for the history of Molecular Simulation timely? How to do it?

Paris – 30 mai-1er juin 2018

Gianni Battimelli (Univ. Rome), Giovanni Ciccotti (Univ. Rome), Jean-Pierre Hansen (Univ. Cambridge), Rodolphe Vuilleumier (ENS Paris)

This meeting is a joint action supported by the CECAM-Moser, Paris; the SCM-Berlin node and the DFG Collaborative Research Center « Scaling Cascades in Complex Systems”;  and the CECAM headquarters in Lausanne

Simulations (and theory) in Physical chemistRy : an international Kermesse in Paris

Paris – 28 et 29 mai 2018

Rodolphe Vuilleumier (ENS Paris), Marie-Pierre Gaigeot (Univ. Evry),Marialore Sulpizi (Univ. of Mainz)

Numerical appoaches for ultrafast electron-nuclear dynamics

Paris – 24-26 janvier 2018

Aurélien de la Lande (Univ. Paris-Sud), Phuong Mai Dinh (Univ. Toulouse), Eve Ranvier (Univ. Paris-Sud), Valérie Véniard (Ecole Polytechnique)

2017

Quantum Crystallography : Current Developments and Future Perspectives

Nancy – 19-20 juin 2017

Alessandro GENONI (Univ. Lorraine), Simon GRABOWSKY (Univ. of Bremen, Germany)

Practical problems with dynamical nuclear quantum effects through semi-classical methods

Paris – 26-28 juin 2017

Fabio FINOCCHI (Univ. Pierre et Marie Curie), Philippe DEPONDT (Univ. Pierre et Marie Curie)

Modelling bio-molecular interactions : A multi-scale approach joining theory and experiment

Université Paris-Est Marne-la-Vallé – 18-19 mai 2017

Halima Mouhib (Université Paris-Est Marne-La-Vallée), Eric Ruelland (iEEs Université Paris-Est Créteil), Wolfgang Stahl (Aachen University)

2016

Méthodes avancées en dynamique moléculaire

IDRIS, Orsay- 10 mars 2016

Daniel BORGIS (CECAM-MOSER), Sara BONELLA (CECAM-LAUSANNE)

Algorithms and codes for the simulation of explicit electrodes

Paris, 20-21 juillet 2016

Mathieu SALANNE (UPMC), Benjamin ROTENBERG (UPMC),

Collaborative development of a modern program based on Maximum Probability Domains search

Paris, 4 rencontres en 2016

Benoît BRAÏDA (UPMC), Pascal FREY (UPMC), Patrick BULTINCK (Univ. Gand), Angel Martin ENDAS (Univ. de Oviedo)

2015

Development of the maximum probability domains

Paris – Printemps 2015

Benoît BAÏDA (Univ. Pierre et Marie Curie), Pascal FREY (Univ. Pierre et Marie Curie)

2014

Dislocation Dynamics Simulations : trends and challenges

Maison de la Simulation – 10-12 décembre 2014

L. Dupuy (CEA, Saclay), O. Coulaud (Grenoble), M. Fivel (Bordeaux), M. Blétry (Thiais)

Correlation Meeting

Ecole Polytechnique – 8-9 December 2014

F. Sottile (LSI, Ecole Polytechnique, Palaiseau), P. Romaniello (LPT, Université de Toulouse)

Développement de codes de chimie théorique dans un environnement HPC

Paris – Automne 2014

Maximilien LEVESQUE (ENS) , Bernard LEVY (Univ. Paris Sud), Philippe PIQUEMAL (Univ. Pierre et Marie Curie)

Excited states from small molecules to more complex systems

Université Paris-Est Marne-la-Vallé – April 2014

Isabelle Navizet (Univ. Paris-Est Marne-la-Vallée), Nicolas Ferré (Univ. Aix-Marseille), Valérie Brenner (CEA)

Simulation of systems under thermodynamic gradients

UPMC Paris -24-25 March 2014

Benjamin Rotenberg (UPMC), Emmanuel Trizac (Univ. Paris Sud), Ignacio Pagonabarraga (Univ. barcelona)

Pseudopotentials and PAW atomic data: beyond a « back art » ?

Paris – 28-29 January 2014

François Jollet (CEA/DAM/DIF) , Gian-Marco Rignanese (Univ. Louvain-La-Neuve), Jens Jorgen Mortensen (Danmarks Tekniske Univ.)

2013

Journée française de visualisation scientifique VISU 2013

IBPC Paris, octobre 2013

Marc Baaden (CNRS), Michaël Aupetit (CEA)

Modeling Oxide/Water Interface and Reactivity

Paris, Septembre 2013

Dominique Costa (ENSCP), Marie-Pierre Gaigeot (Université d’Evry)

Modelling ionic liquids at electrochemical interfaces

UPMC Paris 5-6 september

Mathieu Salanne ( UPMC); Benjamin Rotenberg (UPMC), Patrice Simon (Univ. Paul Sabatier)

Topological approaches to intermolecular interactions

UPMC Paris, June 2013

Julia Contreras-Garcia (UPMC), Jean-Philip Piquemal (UPMC), Robin Chaudret (IFP), Erin Johnson (UC, Merced)

Experimental and theoretical charaterization fo macromolecular assemblies at low resolution

IBPC Paris, 8-9 april 2013

Chantal Prévost (IBPC), Tâp Ha-Duong (UPSud), Mounir Tarek (Univ. Lorraine)

Moving heterogeneities and elastodynamic wave propagation : simulation and detection

Institut Henri Poincaré – 28 May 2013

Yves-Patrick Pellegrini (CEA/DAM/DIF)

Physical and biological nanofluidics

Institut Henri Poincaré – 23-24 May 2013

Lois Auvray (Univ. Paris Diderot), Fabien Montel (Univ. Paris Diderot), Jérôme Mathé (UEVE)

ImmunoComplexiT network

Maison de la Simulation, march 2013

Véronique Thomas-Vaslin (UPMC), Abi-Haidar Alaa (UPMC)

Multi-scale modelling: applications to physicochemical processes

IHP Paris, 11-15 february

Pierre Turq (UPMC), Jean-François Dufrêche (ICSM/Marcoule)

Foam coarsening

Université Paris Diderot – 9-11 January 2013

François Graner (Univ. Paris Diderot) , Simon Cox (Aberystwith Univ.)

2012

Correlation Meeting

Ecole Polytechnique – 5-6 December 2012

F. Sottile (LSI, Ecole Polytechnique, Palaiseau), P. Romaniello (LPT, Université de Toulouse)

Numerical methods and mathematical approaches for solar devices

INRIA Paris – 5 september 2012

Ismaila Dabo (CERMICS), Virginie Ehrlacher (CERMICS); Gabriel Stoltz (CERMICS)

New Perspectives on Integral Equation and Density Functional Techniques in view of Applications to Complex

Molecular Systeme

LPTCM, UPMC – Automn 2011 or early 2012

D. Borgis (ENS, Paris ), A. Perera (LPTMC, UPMC, Paris)

2011

Correlation Meeting

Ecole Polytechnique – 5-6 December 2011

F. Sottile (LSI, Ecole Polytechnique, Palaiseau), P. Romaniello (LPT, Université de Toulouse)

Reaction-diffusion equations for modelling of transport in porous media

IHP – November 2011

B. Despres (LJLL-UPMC, Paris), M. JARDAT (PECSA-UPMC, Paris)

Brainstorm meeting on the development of next generation force fields

12-14 septembre 2011

P. Piquemal (University Paris 6, France), K. D. Jordan (University of Pittsburgh, USA)

Finite temperature orbital-free calculations for hot dense matter

30-31 mai 2011 

F. Lambert (CEA/DAM/DIF), L. Collins (LANL, USA), J. Clerouin (CEA/DAM/DIF)

New insights on metals under extreme conditions

CEA Paris – 9-11 mai 2011 

A. Dewaele (CEA/DAM/DIF), S. Bernard (CEA/DAM/DIF)

Vibrational non-harmonicity effects on the spectroscopy of medium sized molecules and nano structures

UPEMLV – 7 mars 2011

M. Hochlaf (UPEMLV), D. Lauvergnat (UPSud), R. Linguerri (UMLV)