Abinit Workshop 2015 - Program and Speakers
Abinit Workshop 2015 - Program and Speakers
Tuesday 28 April:
AM: Benchmarking, psps and PAW session
9:00 Stefaan Cottenier “Benchmarking codes and theory: the delta factor and beyond”
9:25 Kurt Lejaeghere “DFT and experiment: a match made in heaven or in hell?”
9:50 Marc Torrent "PAW atomic datasets: A 71 element validated table in the XML format ; and the libPAW project"
10:15 coffee break
10:45 Don Hamann “The ONCVPSP method, code, and performance”
11:10 Michiel Van Setten and Matteo Giantomassi "Pymatgen, abipy, and the oncvpsp periodic table"
11:35 Micael Oliveira “ABINIT links to the CECAM Electronic Structure Library”
12:00 Recap - discussion
12:30 Lunch
PM: High throughput and large systems session
14:00 Edoardo di Napoli "The inner workings of the Simulation Laboratory "ab initio": algorithm development, parallel computing and performance efficiency”
14:25 Antoine Levitt "Abinit on 10,000 processors”
14:50 Aldo Romero “The PyChemnia package and its interface with ABINIT”
15:15 John Rehr "Corvus and ABINIT"
15:30 coffee break
16:00 Gian-Marco Rignanese “A high-throughput framework for ABINIT”
16:25 Michiel Van Setten “High throughput GW”
16:50 Jean-Michel Beuken “The test farm and its evolution”
17:05 Luigi Genovese "BigDFT order N calculations"
17:30 Recap - discussion
19:00 (circa) Social Dinner at the restaurant "l'Industrie"
Wednesday 29 April:
AM: correlations session
9:00 Bernard Amadon “DFT+DMFT in Abinit: Wannier functions, calculation of U and spin orbit coupling”
9:25 Francois Jollet “PAW and Hartree-Fock in ABINIT”
9:50 Yannick Gillet “Efficient Trilinear Interpolation Technique for Bethe-Salpeter Calculations of Optical Spectra"
10:15 coffee break
10:45 Camilo Espejo Pabon “Van Der Waals calculations in abinit”
11:10 Benoit Van Troeye “Van der Waals and phonons”
11:35 Yann Pouillon "Building and enhancing Abinit 8: a new paradigm" NEW TIME
12:00 Recap - discussion
12:30 Lunch
PM: DFPT session
14:00 Alexandre Martin “PAW and DFPT: elastic constants and external fields”
14:25 Jonathan Laflamme Janssen “Accurate effective masses from first principles”
14:50 Samuel Poncé “Temperature dependence of the electronic structure: the Allen-Heine-Cardona formalism and beyond”
15:15 coffee break
15:45 Gabriel Antonius “Dynamical and anharmonic effects on the electron-phonon coupling and the zero-point renormalization of the band structure”
16:10 Fabio Ricci “Non collinear magnetism in DFPT”
16:30 Joe Zwanziger "PAW calculation of response properties at the nucleus"
16:55 Strategic discussion with everyone, presentation of new logo, etc...
17:45+ Advisory Board meeting
18:30 - ??? Beer and Cheese dinner
Thursday 30 April:
AM: applications session
9:00 Grégory Geneste “Path-Integral Molecular Dynamics”
9:25 Marc Torrent 2 "Doppler broadening of annihilating electron-positron pairs”
9:50 Razvan Caracas “ABINIT on Mars via WURM”
10:15 Vincent Gosselin "Von Linden Horsh plasmon pole model within GW"
10:20 coffee break
10:45 Jordan Bieder “Finite temperature properties derived from second principles models"
11:10 Anton Bokhanchuk “Unfolding the band structure of supercells with fold2Bloch”
11:35 Yannick Gillet “AbinitGUI : what's up, doc ?"
12:00 Discussion and closing
13:00 Lunch
PM: groups and coding party
15:30 coffee break
Friday: coding party in Sart Tilman