MINI-SCHOOL 2017 : Différence entre versions

De GDR Corrélation Électronique
Sauter à la navigation Sauter à la recherche
Ligne 59 : Ligne 59 :
  
 
{| border="5" |
 
{| border="5" |
! <font color="blue">Mercredi 27 novembre </font>  
+
! <font color="blue">Monday 9 January </font>  
Jussieu, Bat. Esclangon, Amphi Durand
+
Jussieu, , room 309
! <font color="blue">Jeudi 28 novembre</font>  
+
! <font color="blue">Tuesday 10 January</font>  
 
Jussieu, Bat. Esclangon, Amphi Durand
 
Jussieu, Bat. Esclangon, Amphi Durand
! <font color="blue">Vendredi 29 novembre</font>
+
! <font color="blue">Wednesday 11 January</font>
 
Jussieu, Bat. Esclangon, Amphi Durand
 
Jussieu, Bat. Esclangon, Amphi Durand
 
|- align="left"
 
|- align="left"

Version du 22 octobre 2016 à 14:24

Mini-school on mathematics in electronic structure theory of GDR CORREL

Maths1.jpg


  • Date: 09-11 January 2017
  • Location: Université Pierre et Marie Curie (UPMC), Jussieu campus, 4 place Jussieu, 75005, Paris.

Laboratoire Jacques-Louis Lions, corridor 15-16, 3rd floor, room 309

  • Lecturers: Eric Cancès and Trygve Helgaker
  • Organizers: Michel Caffarel, Eric Cancès, Emmanuel Fromager, Julien Toulouse.


Presentation

  • The lectures delivered are intended to be of interest to any person working in the field of electronic structure theory and willing to discover or deepen the mathematical aspects of the methods. PhD students, post-docs or any academic are welcome!
  • To provide a detailed presentation of subjects, we have chosen to give a good amount of time to each lecturer. The workshop will thus involve only two lecturers over a three-day period.


Program

Two lectures will be proposed:

  • 1) Operator theory for electronic structure calculation by Eric CANCES, Ecole des Ponts and INRIA, Paris, France

Indicative program (subject to changes and extension):

- Hilbert spaces
- Linear operators on Hilbert spaces
- Self-adjointness
- Spectra of self-adjoint operators: point vs continuous spectrum, discrete vs essential spectrum
- Some examples in quantum chemistry: N-body Schödinger equation, Hartree-Fock and Kohn-Sham hamiltonians
- Some examples in solid state physics: Bloch theory, periodic Kohn-Sham hamiltonians


  • 2) Fundamentals of DFT (tentative title) by Trygve HELGAKER Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, Norway

Indicative program (subject to changes and extension):

- Hohenberg–Kohn theory (Hohenberg–Kohn theorem and concavity, Lieb variation principles, v-representable densities, etc.)
- Levy–Lieb constrained-search theory, N-representable densities, the Levy–Lieb constrained-search functional, etc
- Lieb convex-conjugate theory, convex functions and convex conjugation, the Lieb convex-conjugate functional, etc
- Discontinuity and nondifferentiability of the universal functional conditions, etc.
- and much more.


Schedule

Monday 9 January

Jussieu, , room 309

Tuesday 10 January

Jussieu, Bat. Esclangon, Amphi Durand

Wednesday 11 January

Jussieu, Bat. Esclangon, Amphi Durand

8:30-9:00 Accueil
Animateur: Andreas Savin

9:00-10:30 Evert Jan Baerends

Chair: Julien Toulouse

9:00-9:25 Jean-Paul Malrieu

9:25-9:50 Emmanuel Giner

9:50-10:15 Mario Dagrada

Chair: Paola Nava

9:00-9:25 Matthieu Saubanère

9:25-9:50 Andre Gomes

9:50-10:15 Antoine Marion

10:30-10:45 Pause café (Caves Esclangon)

10:30-10:45 Pause café (Caves Esclangon)

10:30-10:45 Pause café (Hall Esclangon)

Animateur: Michel Caffarel

10:45-12:15 Garnet Chan

Chair: Carlo Adamo

10:45-11:10 Daniel Borgis

11:10-11:35 Noura Khemiri

11:35-12:00 Asma Marzouk

Chair: Michele Casula

10:45-11:10 Bernard Amadon

11:10-11:35 Thomas Ayral

11:35-12:00 Giovanna Lani

12:00-12:25 Gabriel Labaigt

12:15-14:15 Déjeuner : Buffet (Caves Esclangon) 12:00-14:00 Déjeuner : L'Ardoise (Jussieu, Tour 25)

(Réunion du bureau du GDR pendant le déjeuner)

Animateur: Chantal Daniel

14:15-15:45 Jürgen Gauss

Chair: Emmanuel Fromager

14:00-14:25 Dario Rocca

14:25-14:50 Bastien Mussard

14:50-15:15 Elisa Rebolini

15:45-16:00 Pause café (Caves Esclangon)

15:15-17:00 Posters +café (Caves Esclangon)

Animateur: Peter Reinhardt

16:00-17:30 Christian Ochsenfeld

Chair: Nadia Ben Amor

17:00-17:25 Alexandrina Stoyanova

17:25-17:50 Odile Franck

17:50-18:15 Lucas Baguet

19:30 Dîner à La Coupole (inscription obligatoire)

Practical details

  • IMPORTANT: To facilitate the participation of young researchers, no registration fees will be asked and housing in student-type accomodation will be offered.