SpectroLink: multi-technique optical gas sensing simulation MCP server (TDLAS-DA/WMS, LITES, NDIR, CRDS, FTIR, DOAS)
HITRAN spectroscopy toolkit for AI agents & researchers: MCP server (12 tools) + HitranLab desktop GUI. 61 line-by-line molecules & 600+ cross-section species. Absorption, cross-section, line strength S(296K), transmittance (Voigt/HT/SDVoigt). One-click XSC download, auto-cache, full provenance. Live data from HITRANonline via HAPI.
DFT study of gas molecule adsorption (NH₃, NO₂, CO₂, H₂S) on Ti₂CO₂ monolayer, combining periodic DFT (Quantum ESPRESSO) and cluster model analysis (ORCA).
AI Agent-ready simulation engine + ML benchmark for optical gas sensing — 10 molecules, 9 tasks, 14 baselines, full pipeline via natural language
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