Location: | Adriatico Guest House (Lower Level 1) |
Random numbers, how to sample normale distribution, optimization of sampling distribution. Bias, statistical errors. Random walks, Metropolis algorithm. Variational theorem, Variational Monte Carlo for one particle.
Speaker: | D.M. CEPERLEY (Beckman Institute for Advanced Studies & Technology, Univ. of Illinois, Urbana, USA) |
Material: | lecture notes |
Speaker: | D.M. CEPERLEY (Beckman Institute for Advanced Studies & Technology, Univ. of Illinois, Urbana, USA) |
Sampling normal distribution, calculating errors. VMC for harmonic oscillator and Hydrogen atom. DataSpork for error analysis.
Location: | Adriatico Guest House Informatics Lab. |
Speaker: | S. MORONI (Univ.di Roma "La Sapienza", Dipt. Fisica, Roma, Italy) |
Material: | lecture notes |
Review of trial functions from quantum chemistry. Correlated wave functions, calculation of local energy. Correlated sampling, optimization of parameters.
Speaker: | C. FILIPPI (Instituut-Lorentz for Theoretical Physics, Univ. Leiden, Leiden, Netherlands) |
Material: | lecture notes |
Speaker: | C. FILIPPI (Instituut-Lorentz for Theoretical Physics, Univ. Leiden, Leiden, Netherlands) |
Optimization of wave function (Beryllium atom, Lithium dimer). VMC with different transition probabilities. Correlated sampling (recentered wave function for Li2).
Location: | Adriatico Guest House Informatics Lab. |
Speaker: | F. SCHAUTZ / C. FILIPPI (Instituut-Lorentz for Theoretical Physics, Univ. Leiden, Leiden, Netherlands) |
Material: | lecture notes |
Importance sampling, mixed estimators, forward walking. Fermions: exact method and sign problem, fixed node.
Speaker: | D.M. CEPERLEY (Beckman Institute for Advanced Studies & Technology, Univ. of Illinois, Urbana, USA) |
Material: | lecture notes |
Speaker: | D.M. CEPERLEY (Beckman Institute for Advanced Studies & Technology, Univ. of Illinois, Urbana, USA) |
Lab on fixed node Diffusion Monte Carlo. Use DMC with the wave function obtained for Be and Li2 the previous day.
Location: | Adriatico Guest House Informatics Lab. |
Speaker: | S. MORONI / F. SCHAUTZ (Univ.di Roma "La Sapienza", Dipt. Fisica, Roma, Italy / Instituut-Lorentz for Theoretical Physics,) |
Material: | lecture notes |
Analytic correlation factors. Backflow, 3-body functions, pairing. Coulomb interactions in periodic systems, finite size effects. Fixed-phase, twist average, Wigner Crystal.
Speaker: | D.M. CEPERLEY (Beckman Institute for Advanced Studies & Technology, Univ. of Illinois, Urbana, USA) |
Material: | lecture notes |
Speaker: | S. DE GIRONCOLI (S.I.S.S.A., Trieste, Italy) |
Material: | lecture notes |
Lab. on electron gas. Wave function for periodic systems. Fitpn code. TAS code.
Speaker: | M. HOLZMANN / S. MORONI (Univ.de Paris VI, France / Univ.di Roma, Italy) |
Material: | lecture notes |
Trial wave functions. Interface with other codes. Many-body Bloch theorem, basis sets (Gaussians/PW/splines/blips). Spin and related issues. Cusp conditions. Scaling with system size and "linear-scaling" QMC. Strategies for calculating excited states. Jastrow factor and optimization strategies.
Speaker: | M.D. TOWLER (TCM Group - Cavendish Laboratory, Cambridge Univ., U.K.) |
Material: | lecture notes |
Speaker: | M.D. TOWLER (TCM Group - Cavendish Laboratory, Cambridge Univ., U.K) |
"Live" demonstrations of CASINO running small molecules, homogeneous electron gas, solid state calculations. Discussion of CASINO and its functionality; how it works; how to use it.
Location: | Adriatico Guest House Informatics Lab. |
Speaker: | N.D. DRUMMOND / M.D. TOWLER (TCM Group - Cavendish Laboratory, Cambridge Univ., U.K) |
Material: | lecture notes |
Introduction to auxiliary-field many-body methods. Auxiliary-field QMC formulated as branching random walks. Sign/pase problems, constrained path approximation. AFQMC for electronic Hamiltonians.
Speaker: | S. ZHANG (Coll. of William & Mary in Virginia, Dept. of Physics, Williamsburg, USA) |
Material: | misc |
Speaker: | S. ZHANG (Coll. of William & Mary in Virginia, Dept. of Physics, Williamsburg, USA) |
Illustrative examples for AFQMC. Hubbard-like model calculations, comparison with exact diagonalization. Toy model continuum electronic calculations.
Speaker: | S. ZHANG, M. SUEWATTANA and W.A. AL-SAIDI (Coll. of William & Mary in Virginia, Dept. of Physics, Williamsburg, USA) |
Material: | lecture notes |
Introduction to PIMC Properties of density matrices. Action (primitive approximation, pair density matrix cumulant, Fourier path integrals). Simple properties and description of path integrals.
Speaker: | D.M. CEPERLEY (Beckman Institute for Advanced Studies & Technology, Univ. of Illinois, Urbana, USA) |
Material: | lecture notes |
Speaker: | D.M. CEPERLEY (Beckman Institute for Advanced Studies & Technology, Univ. of Illinois, Urbana, USA) |
Elementary PIMC Lab. Harmonic Oscillator, Squarer.
Speaker: | M. HOLZMANN / C. PIERLEONI (Univ.de Paris VI, France / Univ.di L'Aquila, Italy) |
Material: | lecture notes |
Sampling Levy construction, multilevel, heat bath. Bose statistics, sampling permutations. Superfluidity momentum distribution computed in path integrals. Liquid 4He/BEC.
Speaker: | D.M. CEPERLEY (Beckman Institute for Advanced Studies & Technology, Univ. of Illinois, Urbana, USA) |
Material: | lecture notes |
Speaker: | D.M. CEPERLEY (Beckman Institute for Advanced Studies & Technology, Univ. of Illinois, Urbana, USA) |
Feynman-kacs code for the action. UPI code, liquid helium.
Speaker: | M. HOLZMANN / C. PIERLEONI (Univ.de Paris VI, France / Univ.di L'Aquila, Italy) |
Material: | lecture notes |
Path integrals for ground state properties. Sampling methods. Relation to DMC.
Speaker: | S. MORONI (Univ.di Roma "La Sapienza", Dipt. Fisica, Roma, Italy) |
Material: | lecture notes |
Speaker: | D.M. CEPERLEY (Beckman Institute for Advanced Studies & Technology, Univ. of Illinois, Urbana, USA) |
Material: | lecture notes |
Reptation code for doped helium clusters.
Speaker: | S. MORONI (Univ.di Roma "La Sapienza", Dipt. Fisica, Roma, Italy) |
Material: | lecture notes |
Speaker: | D.M. CEPERLEY (Beckman Institute for Advanced Studies & Technology, Univ. of Illinois, Urbana, USA) |
Material: | lecture notes |
Speaker: | D.M. CEPERLEY (Beckman Institute for Advanced Studies & Technology, Univ. of Illinois, Urbana, USA) |
Material: | lecture notes |