Program

17th USPEX workshop - 4-5-6 July 2019, Rennes, France

PROGRAM

Day 1. Thursday 4 July

8:30-9:00 Welcome (ENSCR Hall) - registration of participants

9:00-9:15 Welcome 17th USPEX workshop Artem R. Oganov and Gilles Frapper

9:15-10:45 Artem R. Oganov Crystal structure prediction and the USPEX code

10:45 -11:15 Coffee break (Library / BU)

11:15-12:40 Tutorial 1 : Getting started: USPEX INPUT (Artem R. Oganov / Gilles Frapper)

12:40-14:30 Lunch @ campus

14:30-18:00 Hands-on tutorials (Library / BU)

Tutorial 2 : (contl) : USPEX INPUT ; bulk crystal structure prediction (Artem R. Oganov / Gilles Frapper)

~16h30 Coffee break

Day 2. Friday 5 July

8:30-9:00 Welcome @ ENSCR

9:00-9:45 Zahed Allahyari Coevolutionary search for optimal materials in the space of all possible compounds

9:45-10:15 Vladimir Baturin USPEX for Clusters. Variable composition technique.

10:15-10:45 3' Flash presentation POSTER

- group photo @ENSCR

10:45 -11:15 Coffee break (BU)- POSTER session @BU

11:15-12:40 Hands-on tutorial (Library / BU)

Tutorial 4: Variable-composition structure prediction + Multi-objective (MO) (Zahed Allahyari )

12:40-14:30 Lunch @ campus

1 4:30-18:00 Hands-on tutorials (Library / BU)

Tutorial 5: clusters/nanoparticles, ... Vladimir Baturin

Tutorial 6: molecular crystals Bowen Huang

~16h30 Coffee break

Open questions on USPEX installation, version 10.3 , Hubert Valencia et al

FREESTYLE (Solving participants’ problems, answering questions) Moderator Frédéric Guégan

Day 3. Saturday 6 July (Library / BU)

8:30-9:00 welcome (Library, BU, bibliotheque universitaire, across ENSCR street)

9:00-9:45 Junjie Wang Discovery of Electrides

9:45 -10:00 (coffee break)

10:00-12:30 Hands-on tutorials (Library / BU)

Tutorial 7: Predicting 2D materials and surfaces (Busheng Wang, Heng Zhang)

Tutorial 8: a "constrain method" in EA: looking for metastable compounds (Bowen Huang, Busheng Wang, Gilles Frapper)

12:30-13:00 Answering questions, Closing talk / Gilles Frapper, Frédéric Guégan

Pr. Artem R Oganov, Skoltech & MIPT - Moscow, Russia (organizer, lecturer, tutor)

Pr. G. Frapper, IC2MP - Poitiers, France (organizer, lecturer, tutor)

Pr. Junjie Wang, Northwestern Polytechnical U. - Xi'an, China ( lecturer, tutor)

Dr Zahed Allahyari, Skoltech - Moscow , Russia ( lecturer, tutor)

Dr Vladimir Baturin, Skoltech - Moscow, Russia ( lecturer, tutor)

Dr. Bowen Huang, Hunan University - Changsha, China ( lecturer, tutor)

Dr. Hubert Valencia, Japon ( lecturer, tutor)

Dr. Busheng Wang , IC2MP Poitiers, France (tutor)

Rabii Larhlimi, Heng Zhang, PhD students, IC2MP Poitiers, France (tutors)