MaterialsAtlas Dataset

SHNITSEL

Name: SHNITSEL
Published: 2026-06-13T19:14:45.744810+00:00
License: See source

excited-statesnonadiabatic-dynamicsphotochemistrytrajectoriesdatasetsmaterials-dataresearch-grade

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SHNITSEL is a research-grade excited-state trajectory dataset focused on excited-state and nonadiabatic molecular dynamics data for learning photochemistry and electronic-state transitions. It is useful for graduate-level materials research, reproducible benchmarking, model training, validation, and comparison across computational, experimental, or characterization workflows.

Citation: SHNITSEL. Materials dataset resource. https://zenodo.org/search?q=SHNITSEL%20dataset

Acknowledgement: Curated by MaterialsAtlas Open Resources from public data portals, official project pages, benchmark suites, repositories, and publication-linked archives.

TypeDataset

DomainNonadiabatic dynamics dataset

LicenseSee source

Contributorszenodo.org