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lecture

Cosponsor(s):

DEMOCRITOS National Simulation Center of INFM - SISSA - Psi-K

Start Time:

21 January 2008 at 08:30

Ends On:

2 February 2008

Location:

Trieste - Italy

Venue:

AGH (Kastler Lecture Hall)

Organizer(s):

C. Filippi, S. Moroni, S. Sorella, C. Umrigar, S. Zhang

Description:

The Abdus Salam ICTP is organizing an international School on Quantum Monte Carlo Methods in Physics and Chemistry with the co-sponsorship of DEMOCRITOS, SISSA and Psi-K.




Quantum Monte Carlo (QMC) methods are among the most successful approaches for computing the properties of interacting quantum many-body systems. For a variety of problems in physics and chemistry, QMC techniques have been employed to provide answers in cases where standard methods such as density-functional theory or Hartree-Fock methods are shown to be inadequate, and post-Hartree-Fock methods are too computationally expensive.

This Advanced School follows the "School on Continuum Quantum Monte Carlo" held at the ICTP in January 2004. After introducing the basics of the methods and giving a broad overview of the field, the School will focus on new developments in methodology and applications.

TOPICS:

- Introduction: Random walks, Variational Monte Carlo, Projection Monte Carlo, Path Integral Monte Carlo;
- Improved wave functions and wave function optimization techniques, computation of forces and observables;
- Lattice Regularized Diffusion Monte Carlo, Auxiliary-Field Monte Carlo for any single-particle basis set, Auxiliary-Field Monte Carlo for spin/isospin-dependent problems, Coupled Electron-Ion Monte Carlo, Worm Algorithm and Diagrammatic Monte Carlo.

LECTURERS:

D.M. Ceperley (UIUC)
C. Filippi (Leiden)
W.M.C. Foulkes (Imperial, London)
S. Moroni (DEMOCRITOS, SISSA)
N. Prokofiev (UMass, Kurchatov)
K.E. Schmidt (Arizona State)
S. Sorella (DEMOCRITOS, SISSA)
C.J. Umrigar (Cornell)
S. Zhang (William and Mary)

AS A PART OF THE ACTIVITY, A TWO-DAY MINIWORKSHOP has been held from 1 to 2 February 2008. Relevant programme is included in the School's agenda.

- - - - - - - - - - - - - - - - - - - -
LECTURE NOTES: Complete lectures-related material, several tutorials and a few contributions to the Miniworkshop are available in .pdf format and can be downloaded from the Online Programme, just scroll down, select the lecture(s) of your interest and click on "lecture notes" -- see below

Material:

21 January 2008
08:30
09:50
REGISTRATION AND ADMINISTRATIVE FORMALITIES
01h20'
09:50
10:00
Opening remarks
10'
10:00
11:30
Intro on random walks and error analysis
01h30'
D. Ceperley
University of Illinois at Urbana-Champaign
11:30
13:00
VMC and trial wave functions
01h30'
C. Filippi
Leiden University
13:00
15:00
Lunch break
02h00'
15:00
17:00
Statistical analysis of computer simulation data
02h00'
B. Clark
University of Illinois at Urbana-Champaign
22 January 2008
09:00
10:30
Optimization of many-body wave functions
01h30'
C.J. Umrigar
Cornell University
10:30
11:00
Coffee break
30'
11:00
11:45
DMC 1
45'
C. Filippi
Leiden University
11:45
12:30
DMC 2
45'
W.M.C. Foulkes
Imperial College London
12:30
15:00
Lunch break
02h30'
15:00
17:00
Optimization of trial wave functions
02h00'
C. Filippi
Leiden University
23 January 2008
09:00
10:30
Solids 1
01h30'
W.M.C. Foulkes
Imperial College London
10:30
11:00
Coffee break
30'
11:00
11:45
Solids 2
45'
W.M.C. Foulkes
Imperial College London
11:45
12:30
Informal discussions/questions by partecipants and selected topics in Quantum Monte Carlo
45'
12:30
15:00
Lunch break
02h30'
15:00
17:00
Introduction to CASINO
02h00'
N. Drummond
University of Cambridge
24 January 2008
09:00
10:30
PIMC 1 Intro
01h30'
D. Ceperley
University of Illinois at Urbana-Champaign
10:30
11:00
Coffee break
30'
11:00
12:30
PIMC 2 Bosons
01h30'
D. Ceperley
University of Illinois at Urbana-Champaign
12:30
15:00
Lunch break
02h30'
15:00
17:00
Pair density matrix, simple PIMC
02h00'
B. Clark
University of Illinois at Urbana-Champaign
25 January 2008
09:00
10:30
PIMC 3 Fermions
01h30'
D. Ceperley
University of Illinois at Urbana-Champaign
10:30
11:00
Coffee break
30'
11:00
12:30
RVB-JAGP and pfaffians
01h30'
S. Sorella
DEMOCRITOS, SISSA
12:30
15:00
Lunch break
02h30'
15:00
17:00
PIMC++
02h00'
B. Clark
University of Illinois at Urbana-Champaign
28 January 2008
09:00
10:30
AFDMC 1
01h30'
S. Zhang
College of William and Mary
10:30
11:00
Coffee break
30'
11:00
12:30
LRDMC and beyond locality approximation
01h30'
S. Sorella
DEMOCRITOS, SISSA
12:30
15:00
Lunch break
02h30'
15:00
17:00
LRDMC lab
02h00'
F. Sterpone
CASPUR
29 January 2008
09:00
10:30
RQMC
01h30'
S. Moroni
DEMOCRITOS, SISSA
10:30
11:00
Coffee break
30'
11:00
12:30
AFDMC 2
01h30'
S. Zhang
College of William and Mary
12:30
15:00
Lunch break
02h30'
15:00
17:00
AFDMC lab
02h00'
S. Zhang
College of William and Mary
30 January 2008
09:00
10:30
Spin/isospin 1
01h30'
K.E. Schmidt
Arizona State University
10:30
11:00
Coffee break
30'
11:00
13:00
WORM ALGORITHM
02h00'
N. Prokofiev
University of Massachusetts
13:00
15:00
Lunch break
02h00'
15:00
17:00
WORM ALGORITHM lab
02h00'
N. Prokofiev
University of Massachusetts
31 January 2008
09:00
11:00
DIAGRAMMATIC MONTE CARLO
02h00'
N. Prokofiev
University of Massachusetts
11:00
11:30
Coffee break
30'
11:30
13:00
Spin/isospin 2
01h30'
K.E. Schmidt
Arizona State University
13:00
15:00
Lunch break
02h00'
15:00
17:00
DIAGRAMMATIC MONTE CARLO lab
02h00'
B. Capogrosso
University of Massachusetts
1 February 2008
09:20
09:30
Opening remarks
10'
09:30
10:15
Some applications of diffusion quantum Monte Carlo
45'
R. Needs
University of Cambridge
10:15
11:00
Coupled electron-ion Monte Carlo simulation of high pressure hydrogen
45'
C. Pierleoni
University of L'Aquila
11:00
11:30
Coffee break
30'
11:30
12:15
Modelling the two-dimensional electron gas in solid state devices
45'
G. Senatore
University of Trieste
12:15
14:30
Lunch break
02h15'
14:30
15:15
Quantum Monte Carlo studies of superfluid Fermi gases
45'
K.E. Schmidt
Arizona State University
15:15
17:00
POSTER SESSION
01h45'
2 February 2008
09:00
09:45
Correlations and localization in planar quantum dots
45'
C. Umrigar
Cornell University
09:45
10:30
Extending accuracy of Quantum Monte Carlo form total energies to observables and small energy differences
45'
R. Assaraf
University Pierre et Marie Curie (Paris VI)
10:30
11:00
Coffee break
30'
11:00
11:45
Stochastic summation of self-consistent Feynman diagrams. A generic technique for polaron (and many-body?) problems
45'
N. Prokofiev
University of Massachusetts
11:45
12:30
One dimensional trapped fermions with attractive contact interaction
45'
M. Casula
University of Illinois at Urbana-Champaign
If you want to make a direct link from your Web page to this agenda, please use this URL:
http://cdsagenda5.ictp.trieste.it/full_display.php?ida=a07138

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