Quantum Computing Enhanced Computational Catalysis Molecular Integrals

Molecular integrals supporting the manuscript 'Quantum computing enhanced computational catalysis' (arXiv:2007.14460). The data was provided by Vera van der Burg of ETH Zurich. The dataset's size, row count, and specific file formats are unknown.

Use Cases

• Benchmark quantum chemistry algorithms based on molecular integral data.
• Train machine learning models for property prediction based on quantum chemical features.
• Validate quantum computing simulations of catalytic processes mentioned in the description.

Strengths

• Data originates from a research manuscript published on arXiv.
• The author is affiliated with ETH Zurich, a recognized research institution.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Last update date is unknown; freshness unverified.

Provenance

Source

Vera van der Burg, ETH Zurich

Collection Method

Created for the manuscript 'Quantum computing enhanced computational catalysis'.