chatmaterials Transport Analysis
Use this skill for transport-oriented post-processing rather than generic workflow setup.
When to use
- estimate whether the electronic structure suggests electron- or hole-like transport tendency
- estimate an effective mass from a simple band-edge dispersion
- summarize a transport trend from band-edge and DOS information
- derive compact thermoelectric-style screening descriptors such as activation energy and transport quality score
- estimate bipolar-conduction risk from the band gap and temperature
- rank multiple candidate datasets with a compact screening heuristic
- write a compact transport-analysis report from existing data
Use the bundled helpers
scripts/analyze_carrier_type.pyEstimate a carrier-type tendency from a band structure and Fermi level.scripts/analyze_effective_mass.pyEstimate an effective mass from a simple band-edge dispersion.scripts/analyze_transport_trend.pySummarize a simple transport trend from band-edge and DOS information and derive compact quality descriptors.scripts/analyze_bipolar_risk.pyEstimate a compact bipolar-conduction risk from the band gap and temperature.scripts/compare_transport_candidates.pyRank multiple candidate datasets with a compact gap-plus-mass screening heuristic.scripts/export_transport_report.pyExport a markdown transport-analysis report.
Guardrails
- Treat these outputs as compact descriptors, not a full Boltzmann transport workflow.
- State the assumed Fermi level and occupied-band count explicitly.
- Distinguish qualitative trend analysis from quantitative transport coefficients.