Program

 Preliminary program of CS2PA 2026

XO: open source XtalOpt code

AIRSS: open source Ab Initio Random Structures Searching ; EDDP: Ephemeral Data Derived Potentials

HT-workflow: Open source workflow for targeted materials discovery. 

Day 1.      Monday 1 June

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

9:00-9:15        Gilles Frapper: Welcome to CS2PA 2026   

9:15-10:00      Morgan Redington: The XtalOpt code  

10:00 -10:30     Coffee break  (Hall INSPE)

10:30-12:30     Tutorial XO_1: Getting started with XtalOpt: fixed composition by Morgan Redington. Tutors: Xiaoyu Wang and Busheng Wang 

12:30-14:00     Lunch @ campus

    Coffee break @ Conference center

14:00-14:30   Morgan Redington:  variable-composition Functionality 

14:30-16:00 Tutorial XO_2: multi-compositions by Morgan Redington. Tutors: Xiaoyu Wang and Busheng Wang 

~16h Coffee break 

16:30-18:00  Tutorial XO_3 : Variable-composition  by Morgan Redington. Tutors: Xiaoyu Wang  & Busheng Wang 

18:00-19:00   XtalOpt installation party by Xiaoyu Wang.  Tutors: Busheng Wang & Abhi Kunwar

Day 2.      Tuesday 2 June

9:00-10:00   Multi-objective functionality in XtalOpt by Xiaoyu Wang & Busheng Wang 

10:00-10:15   3' Flash presentation POSTER. chairman: Gilles Frapper

10:15-10:45 Coffee break - POSTER session @Hall INSPE

10:45-12:30 Tutorial XO_4:   Multi-objective by  Busheng Wang . Tutors: Stefano Racioppi & Morgan Redington

 12:30-14:00   Lunch @ campus

   Coffee break @ Conference center

14:00-14:30   Qiang Zhu: Generative models for materials discovery

14:30-16:00  Tutorial QZ_1: Generatives models: VAE 

~16h Coffee break 

16:30-18:00 Tutorial QZ_2: Generative models: Diffusion Model

Social event 1 - 18:30-19:30: White wine tasting for newbies  + Poitou cheeses tasting by XX; Assistants: Applied Quantum Chemistry team of IC2MP, Poitiers U., CNRS

Day 3.     Wednesday  3 June

9:00-10:00    XX :  CSP method//General   

10:00-10:15   3' Flash presentation  POSTER ; chairman: Gilles Frapper

10:15-10:45  group photo @INSPE & Coffee break  - POSTER session @Hall INSPE

10:45-12:00   Tutorial QZ_3: Materials Screening Workflow by Qiang Zhu 

Lunch

Social Event 2,  program to come

13:45 BUS leaving from Parc R+ (near Lunch CROUS Les Hurons brasserie)

20:00 french Cuisine dinner   

Day 4.      Thursday 4 June

8:30-9:00 Welcome @ INSPE

9:00-9:45    Peter Cooke: Machine-learned Potentials in AIRSS 

9:45-10:00     3' Flash presentation  POSTER

10:00-10:30  Coffee break  - POSTER session @Hall INSPE

10:30-12:30    Tutorial AIRSS_1:  Training EDDP by Maélie Caussé & Peter Cooke  

12:30-14:00     Lunch @ campus

   Coffe break @ Conference center

1 4:00-16:00 Tutorial AIRSS_2: Using EDDP for structure searching with AIRSSs by Maélie Caussé & Peter Cooke 

~16h Coffee break 

16:30-18:00 Tutorial AIRSS_3: Using EDDP for structure searching with hot-AIRSS by Maélie Caussé 

Social event 3

18:00-19:30: Red wine tasting for newbies + local meals (farci potevin, rillon...) by XX; Assistants: Applied Quantum Chemistry team of IC2MP, Poitiers U., CNRS

Day 4.      Friday 5 June

8:30-9:00 Welcome @ INSPE

9:00-9:45    Maélie Caussé : XX

9:45-10:00     3' Flash presentation  POSTER

10:00-10:30  Coffee break  - POSTER session @Hall INSPE

10:30-12:30    Tutorial AIRSS_4:  Training EDDP by Maélie Caussé & Peter Cooke  

12:30-14:00   

 Social event 4: APERO! End of CS2PA 2026