9th USPEX Program Schedule

9th USPEX workshop

9th USPEX BOOKLET: download here

Program Schedule:

D 1.     Thursday 25 june

13:30-14:00    Welcome – Coffee

14:00-14:30     Welcome 9th USPEX workshop  – A.R. Oganov & G. Frapper

14:30-16:00    A.R. Oganov “Crystal structure prediction and the USPEX code”

16:00 -16:30    Coffee break

16:30-18:30     TUTORIALS 1 : Installation party – First steps with USPEX / Download 1 / Download 1bis

19:00                  Dinner @ Thélème

20:30-22:00     Open lab (volunteers!):  First steps with USPEX + tutor for VASP (download ES’PA – VASP tutorial 2015)

 

D2.      Friday 26 june

8:30-9:00         Coffee welcome

9:00-10:30       A.R. Oganov “optimization of physical properties”

10:30-11:00     coffee break + Poster session

11:00-12:00       C. Gatti « Solving chemistry puzzles in molecules and crystals through electron and electron spin density analyses » 

Photo group

12:00-14:00     Lunch @ Hurons

14:00-15:00     Q. Zhu “Variable-composition evolutionary structure prediction”

USPEX users talk: Shuyin Yu “Exploring ground-state molybdenum nitride MoN2

15:00-18:00     TUTORIALS 2: prediction of high-pressure phases  

( Coffee break)

TUTORIALS 2: data analysis

18:00-19:00     Apéro

19:00    Dinner @ Thélème

21:00 en route to  British Taxi Crash band at the pub Le Plan B, le Grand Cerf Street (near train station)

 

D3.      Saturday 27 june

9:00-10:00       Q. Zhu “Prediction of the structure of molecular crystals

10:00-10:30      flash presentation / 7 mn per talk, 3 talks

10:30-11:00     coffee break + Poster session

11:00-12:00     S. Levchenko “Stoichiometry of oxides at realistic conditions: from small clusters to extended surfaces

12:00      Lunch @ Hurons

14:00-14:30      flash presentation / 7 mn per talk, 3 talks

14:30-18:30     TUTORIALS 3: variable composition structure prediction

(coffee break+ poster session)

TUTORIALS 4: molecular crystals

 

dinner “en ville” off – free      

 

D4.      Sunday 28 june / social event.

10:30 at Notre-Dame-la-Grande: visit (registration requested)

13:30 departure from Michel Foucault residency; back around midnight

wine tasting, Fontevraud abbey, Gala Dinner

           

D5.      Monday 29 june / 9 am-6 pm

 

10:00-10:30      Coffee welcome

10:30-11:30       P. Johari “Theory and simulations of low-dimensional systems”

11:30-12:30     Q. Zhu “Evolutionary structure prediction for nanoparticles and surfaces”

12:45                Lunch @ Hurons

14:00-15:00     Round table – your research using USPEX

Joël Ribis “AlCrO based-clusters, MgSi and Nb particles under radiation: would USPEX/DFT modelization help our understanding?”

open discussion

15:0018:30      TUTORIALS 5: nanoparticles, 2D crystals and surfaces

19:00     Dinner @ Thélème


D6.      Tuesday 30 june / 9 am-4 pm

9:00-10:30       A.R. Oganov “Evolutionary metadynamics”

10:30-11:00     coffee break + Poster session

11:00-12:00     TUTORIALS 6: evolutionary metadynamics

12:00-14:00     Lunch @ Hurons

14:00-16:00     TUTORIALS 6: con’t evolutionary metadynamics

16:00               end – A.R. Oganov & the 9th USPEX team

 

 

 

Supercomputer center, THOR presentation (pdf)

Recherche

Menu principal

Haut de page