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.