International Workshop on Computational Physics and Materials Science: "Progress in Computational Electronic Structure Theory"

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Presentation Schedule

S. Zhang
Recent progress in auxiliary-field electronic structure methods | View Presentation File |

J. Toulouse
Optimization of quantum Monte Carlo wave functions by energy minimization | View Presentation File |

M. Casula
Diffusion Monte Carlo methods with non-local potentials | View Presentation File |

A. Rubtsov
Continuous time QMC methods: applications for DMFT and beyond | View Presentation File |

M. Bernasconi
Adsorption, diffusion, and decomposition of silyl radicals at clean and hydrogenated Si(100) surfaces by ab-initio simulations | View Presentation File | Presentation File with Movies |

L. Genovese
Daubechies wavelets as a basis set for density functional pseudopotential calculations: the BigDFT project | View Presentation File |

J. Behler
Non-adiabatic effects in the oxygen dissociations at the Al(111) surface | View Presentation File |

D. Alfe
Absolute rate of thermal desorption from first principles simulation | View Presentation File | Presentation with Movies |

A. Marini
Ab-initio finite temperature excitons | View Presentation File | Presentation with Movies |

O.Pulci
Optical spectrum of water: many-body perturbation theory meets molecular dynamics | View Presentation File |

R. Gebauer
A Lanczos-based recursion scheme for the direct calculation of optical spectra in TD-DFT | View Presentation File |

M. Verstraete
The GW space-time formalism at finite temperature for metallic systems | View Presentation File |

S. Savrasov
Are self-energies local? Insights from LDA+DMFT and GW+DMFT | View Presentation File |

M. Potthoff
Lanczos-based cluster methods for strongly correlated electron systems | View Presentation File |

F. Aryasetiawan
Calculating the Hubbard U from first principles: constraint RPA | View Presentation File |

I. Souza
Wannier interpolation and its application to the calculation of anomalous Hall conductivity | View Presentation File |

A. Lichtenstein
Spectral density functionals: LDA+DMFT | View Presentation File |

K. Haule
Modeling the localized-to-itinerant electronic transition in the heavy Fermion system CeIrIn₅ | View Presentation File |

R. Pentcheva
Compensation mechanisms and functionality of perovskite interfaces | View Presentation File |

R. Valenti
Orbital order in the frustrated spinel ZnV₂O₄ | View Presentation File |