Winter Workshop on the Future of Powder Analysis

23 Feb 2027, 13:00 → 26 Feb 2027, 13:00 US/Eastern

Overview

The workshop will survey the rapidly evolving landscape of powder analysis from the perspective of large-scale facilities. With this context our goal is to identify common requirements and opportunities for cross-facility collaboration. From this context we will develop a timeline and road map for ORNL powder analysis support along with concrete strategies to implement this.

Confirmed Invited Contributors

• Thomas Caswell (NSLS-II)
• John Evans (Durham University, UK)
• Thomas Holm-Rod (ESS, Sweden)
• Saul Lapidus (ANL)
• Daniel Olds (NSLS-II)
• Kevin Stone (SLAC)

Session topics

Orchestration: management of parallel refinement strategies, large sequential datasets, refinement versioning, metadata, abstraction of Rietveld engines, deployment.    

Automated refinements: AI Skills for Rietveld, a Rietveld harness, interpretation of data and refinement, strategy development and exploration, QA on agentic output

Rietveld engines: are existing engines sufficient for at scale, high throughput analysis?  

UI and visualisation: visualizing fit and parameters at scale, comparison of parallel strategies, LLM as frontend UI.  

Community: opportunities for common approaches at different facilities, support of user plugin mechanisms, opensourcing of codebases, documentation and training.

 

 

Tuesday 23 February

13:00 → 14:00 Badging

14:00 → 16:00 orchestration: parallel refinement strategies, large sequential datasets, versioning

16:00 → 16:15 Break

16:15 → 18:00 orchestration: metadata

Wednesday 24 February

08:30 → 10:00 Automated refinements: Rietveld skills, data interpretation strtategy development

AI Skills for Rietveld, a Rietveld harness, interpretation of data and refinement, strategy development and exploration, QA on agentic output

10:00 → 10:30 Break

10:30 → 12:30 Automated refinements: Data interpretation, QA on agentic interpretation

AI Skills for Rietveld, a Rietveld harness, interpretation of data and refinement, strategy development and exploration, QA on agentic output

12:30 → 13:30 Lunch

13:30 → 15:30 Rietveld engines: next gen engines

are existing engines sufficient for at scale, high throughput analysis?

15:30 → 16:00 Break

16:00 → 17:30 UI and visualization

visualizing fit and parameters at scale, comparison of parallel strategies, LLM as frontend UI.

Thursday 25 February

08:30 → 10:00 Collaboration: synchrotron + neutron

opportunities for common approaches at different facilities, support

10:00 → 10:30 Break

10:30 → 12:30 Community: opensourcing, user plugins, documentation and training

user plugin mechanisms, opensourcing of codebases, documentation and training.

12:30 → 13:30 Lunch

13:30 → 15:30 ORNL Rietveld Roadmap: Milestones

15:30 → 16:00 Break

16:00 → 17:30 Common Rietveld Requirements: Discussion

Friday 26 February

08:30 → 10:00 Writeup: I

10:00 → 10:30 Break

10:30 → 12:00 Writeup: II

12:00 → 12:30 Closeout

12:30 → 13:00 Box Lunch To Go