Abinit Workshop 2015 - Program and Speakers


Program


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