DFT+U Simulation Files for Pristine and Doped Vanadium Dioxide

Shivam Tripathi's dataset contains relevant files for density functional theory simulations of pristine and doped Vanadium Dioxide, published on figshare. The 354.4 MB collection is available under a CC-BY-4.0 license and was last updated in April 2026.

Use Cases

• Benchmarking DFT+U simulation parameters based on the provided input/output files.
• Analyzing the effect of dopants on the monoclinic insulating phase of VO2 based on the dataset's description.
• Training or validating machine learning models for material property prediction using the simulation results.

Strengths

• Dataset size is 354.4 MB, indicating a substantial collection of simulation files.
• License is CC-BY-4.0, permitting open sharing and adaptation.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Description metadata is limited; actual data quality requires manual inspection after download.

Provenance

Source

Shivam Tripathi via figshare

Collection Method

Generated via density functional theory (DFT+U) simulations.

Time Range

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Freshness

Last updated 2026-04-09 12:01:24; freshness should be verified.

Geography

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