CECAM/Psi-k Workshop

The Diffusion Monte Carlo Method

CECAM, Lyon, 19-21 September 2002

Programme


 
Thursday, 19 September
Chair: Claudia Filippi
9.30 Richard Needs Welcome and opening remarks
9.35 M. Caffarel Stochastic reconfiguration Monte Carlo: The best of DMC and pure DMC
10.20 C.J. Umrigar Approximate imaginary time-evolution operators with and without the fixed-node approximation
11.00   Coffee
11.30 M. Kalos Recent progress in fermion Monte Carlo
12.15 D. Bressanini The nodes of trial and exact wave functions in quantum Monte Carlo
13.00   Lunch
14.30 R. Assaraf Computation of observables and small differences in energy using the zero-variance property
15.15   Coffee
15.30 H.-J. Flad Merging quantum Monte Carlo with conventional many-particle methods
16.15
S. Moroni Quantum solvation of carbonyl sulphide with helium atoms
17.00
D. Benoit Vibrational orbitals : a new perspective on hydrogen bonding
17.45   Close

 
Friday, 20 September
Chair: Mike Towler
9.30 A.J. Williamson Quantum Monte Carlo simulations of semiconductor nanostructures
10.15 I. Stich QMC study of electronic correlation in cluster systems
11.00   Coffee
11.30 P. Ballone QMC computations for homogeneous and inhomogeneous jellium systems
12.15 W.M.C. Foulkes Quantum Monte Carlo studies of jellium surfaces
13.00   Lunch
14.30 C.J. Umrigar Discussion of accuracy of DMC calculations
15.15   Coffee
15.30  C.J. Umrigar Discussion of accuracy of DMC calculations
17.00   Close

 
Saturday, 21 September
Chair: Richard Needs
9.30 E. Koch Fixed-node Monte Carlo for fermions on a lattice: applications to the doped fullerenes
10.15 J. Trail QMC studies of 2D and 3D Wigner crystals
11.00   Coffee
11.30 S. Fahy Energy optimization of variational wave functions in solids: general theory and calculation of the van der Waals energy in graphite 
12.15 P. Nightingale Optimization of trial wave functions for excited states of bosonic clusters
13.00   Lunch
14.30  F. Schautz Optimization of CI coefficients in multideterminant Jastrow-Slater wave functions
15.15
Coffee
15.30
L. Mitás Electronic structure of nanosystems and solids by quantum Monte Carlo methods
16.15
A. Lüchow Distributed multipole moments and polarizabilities with DMC
17.00   Close


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