Difference between revisions of "Michel Caffarel"

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118 route de Narbonne <br>
 
118 route de Narbonne <br>
 
31062 Toulouse Cedex (FRANCE)<br>
 
31062 Toulouse Cedex (FRANCE)<br>
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<br>
 
 
<br>
 
<br>
  
<B>RESEARCH INTERESTS</B>
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<center><B>RESEARCH INTERESTS</B>
  
N-body quantum problem in physics and chemistry
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Development of methods and applications for the N-body quantum problem in physics and chemistry.
  
<B>TEACHING</B>
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[http://qmcchem.ups-tlse.fr/files/caffarel/publications.html '''<FONT color ="black"> <B>PUBLICATION LIST </B> </FONT>''']
  
* Advanced numerical course: "Simulating Complex Systems of Physics" (20 hrs)  M2R Physique de la Matière, Université de Toulouse
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[http://qmcchem.ups-tlse.fr/files/caffarel/conferences.html '''<FONT color ="black"> <B>CONFERENCES AND SEMINARS</B> </FONT>''']
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</center>
  
* "Exploring nuclear configuration space" (6 hrs) M2I Physique et Chimie pour le Vivant et la Santé [http://masterpcvs.ups-tlse.fr/ (PCVS)]
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<B>PUBLICATIONS PER CATEGORY</B>
 
 
<B>SCIENTIFIC COMMUNITY INVOLVEMENT</B>
 
 
 
* Head of the [http://www.edsdm.ups-tlse.fr/ Doctoral school in Physics, Chemistry, and Material Sciences], University of Toulouse
 
 
 
* In charge of the CNRS-Groupement De Recherche (GDR)[http://gdrcorelec.ups-tlse.fr/ Méthodes corrélées pour la structure électronique]
 
 
 
* Board member of the [http://www.univ-toulouse.fr/recherche/college-doctoral/15-ecoles-doctorales Doctoral College of University of Toulouse]
 
 
 
* Board member of the Labex NEXT
 
 
 
<B>PUBLICATIONS</B>
 
  
 
<B>Reviews </B>
 
<B>Reviews </B>
  
* [http://qmcchem.ups-tlse.fr/files/caffarel/qmc_eacm.pdf '''Quantum Monte Carlo in Chemistry'''] M. Caffarel, Encyclopedia of Applied and Computational Mathematics, ed. Bjorn Engquist, Springer (2011).
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* M. Caffarel, Encyclopedia of Applied and Computational Mathematics, ed. Bjorn Engquist, Springer (2011).
 
* [http://qmcchem.ups-tlse.fr/files/caffarel/barcelone_2007.pdf '''Fixed-Node Quantum Monte Carlo for Chemistry'''] M. Caffarel and A. Ramirez-Solis, in The proceedings of the 14th International Conference: "Recent Progress in Many-Body Theories", edited by Jordi Boronat, Gregory Astrakharchik, and Ferran Mazzanti, World Scientific (2008).
 
* [http://qmcchem.ups-tlse.fr/files/caffarel/barcelone_2007.pdf '''Fixed-Node Quantum Monte Carlo for Chemistry'''] M. Caffarel and A. Ramirez-Solis, in The proceedings of the 14th International Conference: "Recent Progress in Many-Body Theories", edited by Jordi Boronat, Gregory Astrakharchik, and Ferran Mazzanti, World Scientific (2008).
 
* [http://qmcchem.ups-tlse.fr/files/caffarel/Report_Caffarel.pdf '''A few aspects of QMC for molecules'''] M. Caffarel, R. Assaraf, A. Khelif, A. Scemama, A. Ramirez-Solis, in "Mathematical and Numerical Aspects of Quantum Chemistry Problems", Mathematisches Forschunginstitut Oberwolfach, p.7 Report No.47/2006 (2006).
 
* [http://qmcchem.ups-tlse.fr/files/caffarel/Report_Caffarel.pdf '''A few aspects of QMC for molecules'''] M. Caffarel, R. Assaraf, A. Khelif, A. Scemama, A. Ramirez-Solis, in "Mathematical and Numerical Aspects of Quantum Chemistry Problems", Mathematisches Forschunginstitut Oberwolfach, p.7 Report No.47/2006 (2006).
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* [http://dx.doi.org/10.1063/1.456123'''Quantum Monte Carlo method for some model and realistic coupled anharmonic oscillators''']<br> M. Caffarel, P. Claverie, C. Mijoule, J. Andzelm, and D.R. Salahub, J. Chem. Phys. vol. 90, 990 (1989)
 
* [http://dx.doi.org/10.1063/1.456123'''Quantum Monte Carlo method for some model and realistic coupled anharmonic oscillators''']<br> M. Caffarel, P. Claverie, C. Mijoule, J. Andzelm, and D.R. Salahub, J. Chem. Phys. vol. 90, 990 (1989)
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<B> Implementation of large-scale QMC simulations </B>
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* [http://qmcchem.ups-tlse.fr/files/caffarel/jcc.pdf '''Quantum Monte Carlo for large chemical systems: Implementing efficient strategies for petascale platforms and beyond'''] A.Scemama, M. Caffarel, E. Oseret, and W. Jalby submitted to J.Comp.Chem.
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* [http://qmcchem.ups-tlse.fr/files/caffarel/kobe.pdf '''QMC=Chem: a quantum Monte Carlo program for large-scale simulations in chemistry at the petascale level and beyond'''] A. Scemama, M. Caffarel, E. Oseret and W. Jalby VECPAR 2012 in press.
  
 
<B> Perturbation Theory with QMC. Applications to interaction energies and polarizabilities </B>
 
<B> Perturbation Theory with QMC. Applications to interaction energies and polarizabilities </B>
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* [http://localhost '''Dynamical Symmetry Enlargement versus Spin-Charge Decoupling in the one-dimensional SU(4) Hubbard Model''']<br>  R. Assaraf, P. Azaria, E. Boulat, M. Caffarel, and P. Lecheminant, Phys. Rev. Lett. vol. 93, 016407 (2004)
 
* [http://localhost '''Dynamical Symmetry Enlargement versus Spin-Charge Decoupling in the one-dimensional SU(4) Hubbard Model''']<br>  R. Assaraf, P. Azaria, E. Boulat, M. Caffarel, and P. Lecheminant, Phys. Rev. Lett. vol. 93, 016407 (2004)
  
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<B> Quantum aesthetics  </B>
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* [http://qmcchem.ups-tlse.fr/files/caffarel/grospapier_esthetique_quantique.pdf '''L’esthétique quantique : un regard croisé Arts et Sciences''']<br> M. Martinez et M. Caffarel in Science, Fables and Chimera: Strange Encounters, edited by Laurence Roussillon- Constanty and Philippe Murillo, Cambridge, Cambridge Scholars Publishing, 2012. Actes du Colloque International "Science, fables et chimères: croisements" Toulouse,10-11 Juin 2011.
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* [http://qmcchem.ups-tlse.fr/files/caffarel/martinez_caffarel_aesthetics.pdf '''Quantum aesthetics: When quantum theory stimulates the artistic and scientific imagination. A critical assessment''']<br> M. Martinez et M. Caffarel[http://qmcchem.ups-tlse.fr/files/caffarel/martinez_caffarel_esthetique.pdf '''french version'''] [http://qmcchem.ups-tlse.fr/files/caffarel/esthetique_quantique_roumain.pdf '''romanian version''']
  
 
<B> Other publications </B>
 
<B> Other publications </B>
  
 
* [http://qmcchem.ups-tlse.fr/files/caffarel/Obernai.pdf'''Méthodes d'intégration fonctionnelle et méthodes stochastiques pour le traitement de problèmes quantiques. Application à la physique atomique et moléculaire''']<br> M. Caffarel, Doctorat de l'Université Paris 6, 27 Mars 1987.
 
* [http://qmcchem.ups-tlse.fr/files/caffarel/Obernai.pdf'''Méthodes d'intégration fonctionnelle et méthodes stochastiques pour le traitement de problèmes quantiques. Application à la physique atomique et moléculaire''']<br> M. Caffarel, Doctorat de l'Université Paris 6, 27 Mars 1987.

Latest revision as of 16:19, 30 January 2015

Photo dumas.jpg

Directeur de Recherches au Centre National de la Recherche Scientifique (CNRS)
Lab. de Chimie et Physique Quantiques "(LCPQ)
Université Paul Sabatier " (UPS) and University of Toulouse (UT)
Phone: +33 5 61 55 60 46
Fax: +33 5 61 55 60 65
E-mail: caffarel@irsamc.ups-tlse.fr
Mail: CNRS-Lab. de Chimie et Physique Quantiques
IRSAMC Université Paul Sabatier, 118 route de Narbonne
31062 Toulouse Cedex (FRANCE)

RESEARCH INTERESTS

Development of methods and applications for the N-body quantum problem in physics and chemistry.

PUBLICATION LIST

CONFERENCES AND SEMINARS

PUBLICATIONS PER CATEGORY

Reviews

  • M. Caffarel, Encyclopedia of Applied and Computational Mathematics, ed. Bjorn Engquist, Springer (2011).
  • Fixed-Node Quantum Monte Carlo for Chemistry M. Caffarel and A. Ramirez-Solis, in The proceedings of the 14th International Conference: "Recent Progress in Many-Body Theories", edited by Jordi Boronat, Gregory Astrakharchik, and Ferran Mazzanti, World Scientific (2008).
  • A few aspects of QMC for molecules M. Caffarel, R. Assaraf, A. Khelif, A. Scemama, A. Ramirez-Solis, in "Mathematical and Numerical Aspects of Quantum Chemistry Problems", Mathematisches Forschunginstitut Oberwolfach, p.7 Report No.47/2006 (2006).
  • A pedagogical introduction to quantum Monte Carlo
    M. Caffarel, R. Assaraf in Mathematical models and methods for ab initio Quantum Chemistry in Lecture Notes in Chemistry, eds. M. Defranceschi and C.Le Bris, Springer p.45 (2000)
  • Stochastic methods in quantum mechanics
    M. Caffarel in Numerical Determination of the Electronic Structure of Atoms, Diatomic and Polyatomic Molecules (Kluwer Academic Publishers, 1989), pp.85-105.

Methodology: General Aspects

Zero-Variance Zero-Bias principle and its Applications (Forces)

Trial wavefunctions

Electron Pair Localization Function

Maximum probability domains

QMC for vibrational levels

Implementation of large-scale QMC simulations

Perturbation Theory with QMC. Applications to interaction energies and polarizabilities

Perturbation Theory with SAPT

The fermion sign problem

Nodal properties of wavefunctions

Chemical applications

Theoretical condensed-matter physics (Hubbard and Heisenberg models)

Quantum aesthetics

  • L’esthétique quantique : un regard croisé Arts et Sciences
    M. Martinez et M. Caffarel in Science, Fables and Chimera: Strange Encounters, edited by Laurence Roussillon- Constanty and Philippe Murillo, Cambridge, Cambridge Scholars Publishing, 2012. Actes du Colloque International "Science, fables et chimères: croisements" Toulouse,10-11 Juin 2011.

Other publications