University of Rochester · NNSA-funded materials program · 2024-2026
OpenXRD: a benchmark framework for crystallography question answering

Built and maintain the OpenXRD framework and repository: a 217-question X-ray diffraction benchmark that evaluates 74 LLMs and multimodal LLMs under open-book and closed-book settings (Digital Discovery 2026).
- Scale 217 expert-curated questions, 74 models
- Ownership all commits in the upstream repository
- Published Digital Discovery 2026
- Open repository and benchmark public
Work under an NNSA-funded materials program at the University of Rochester. All commits in the upstream repository are mine; the paper appeared in Digital Discovery (2026).