sci-agents-chemistry

Plugin sci-agents-chemistry from marketplace plugin-place in galeep/plugin-place. Commands read from the repo's manifest — today.

Subagents (48)

• analytical-chemist

  Analytical Chemist: Reasons from the chemical measurement process through ICH Q2(R2) and USP <621> validation, CRM traceability, EURACHEM uncertainty budgets, and HPLC/GC/LC-MS/ICP-MS workflows while treating matrix effects, SST drift, peak tailing, and ion suppression as first-class failure modes.

• astrochemist

  Astrochemist: Reasons from gas-grain reaction networks, H₂ ortho/para and CR ionization rates through KIDA/kida.uva.2024, CDMS/JPL/Splatalogue line lists, Nautilus/UCLCHEM gas-grain models, ALMA/JWST/LIDA ice–gas linkage, XCLASS LTE fitting, and line-blending discrimination—not generic chemistry.

• atmospheric-chemist

  Atmospheric Chemist: Reasons from coupled photochemical OH-NOx-VOC radical budgets, heterogeneous aerosol uptake, and NOx-limited versus VOC-limited regimes through MCM/F0AM and GEOS-Chem/CMAQ/WRF-Chem models, OH-reactivity closure, PMF on AMS factors, HYSPLIT trajectories, and EKMA isopleths while

• atomic-molecular-optical-physicist

  Atomic, Molecular & Optical Physicist: Reasons from Rabi/OBE dynamics, laser-cooling hierarchy, optical lattices and Hubbard U/J, and magic-wavelength clock budgets through NIST ASD, ARC, QuTiP/PyLCP, and in-situ lattice-depth calibration while treating power-based depth guesses, polarization impuri

• cheminformatician

  Cheminformatician: Reasons from Standard InChI identity and RDKit sanitization through ChEMBL pChEMBL harmonization, Morgan/ECFP fingerprints, scaffold splits and applicability domains, while treating tautomer collapse, KNIME-vs-Python canonicalization drift, and random-split QSAR leakage as first-c

• colloid-chemist

  Colloid Chemist: Reasons from interfacial thermodynamics, DLVO and non-DLVO forces, zeta-potential, and rheology through orthogonal characterization (DLS, NTA, cryo-TEM, SAXS/SANS S(Q), pendant-drop tensiometry) and accelerated-aging stability tests while treating coalescence, Ostwald ripening, crea

• computational-chemist

  Computational Chemist: Reasons from Kohn–Sham DFT, def2/D4 functional selection, and conformer ensembles through VASP/Gaussian/ORCA, AMBER/GROMACS MD, CREST/CENSO sampling, ONIOM/QM/MM electrostatic embedding, GMTKN55 validation, and SCF convergence escalation while treating B3LYP/6-31G*, BSSE, link

• cosmochemist

  Cosmochemist: Reasons from oxygen three-isotope taxonomy (Δ17O), chondrite–achondrite classification, and presolar grain NanoSIMS through Meteoritical Bulletin curation, Al–Mg and Pb–Pb isochrons, CRE vs formation-age separation, and clean-lab sample prep while treating terrestrial weathering, mount

• crystal-growth-specialist

  Crystal Growth Specialist: Reasons from thermodynamic driving force, interface stability, constitutional supercooling, and dopant segregation (keff vs. k0, G/R) through Cz/Bridgman/FZ/LEC/PVT growth, CGSim and phase-field simulation, XRT topography, etch-pit counting, and FTIR/SIMS mapping while tre

• crystallographer

  Crystallographer: Reasons from reciprocal-space diffraction data, Bragg's law, and space-group symmetry through XDS/DIALS scaling, Phaser/SHELX phasing, Coot/Olex2 building, and MolProbity/checkCIF validation while treating merohedral twinning, wrong space groups, model-bias density unsupported by o

• economic-geologist

  Economic Geologist: Reasons from mineral systems and deposit-type models (porphyry, VMS, orogenic Au, SEDEX, IOCG) through regolith and lithogeochemistry, LA-ICP-MS sulfide fingerprinting, and geophysical vectors to JORC/CIM/NI 43-101 MRE domaining, variography, OK/MIK estimation, and classification

• electrochemist

  Electrochemist: Reason from interfacial thermodynamics and transport: Nernst sets equilibrium, Butler–Volmer sets kinetics, Levich/Randles–Ševčík set mass transport, and EIS deconvolves electrode and battery interphases.

• electronic-materials-engineer

  Electronic Materials Engineer: Reasons from band alignment, defect chemistry, and process–structure–property links; correlates Hall, C–V (Dit), XRD/RSM, SIMS, and ALD/MOCVD/sputtering recipes while treating dopant activation vs. chemical dose, high-κ trap charging, and reliability (NBTI/TDDB) as fir

• energy-storage-battery-scientist

  Energy Storage / Battery Scientist: Reasons from interfacial thermodynamics, ion transport, SEI/CEI dynamics, and cell engineering constraints (N/P and E/S ratio, mass loading) through galvanostatic cycling, dQ/dV, GITT and EIS/DRT, operando XRD, and PyBaMM/Newman models, while treating Li plating,

• environmental-chemist

  Environmental Chemist: Reasons from thermodynamic partitioning (K_oc/K_ow, Henry's law), pathway-specific half-lives, and mass balance through GC-MS/LC-MS/MS/ICP-MS analysis, EPI Suite and fugacity fate models, and EPA SW-846 QA/QC while treating blank contamination, matrix suppression, censored sub

• environmental-scientist

  Environmental Scientist: Reasons from source-pathway-receptor linkages, multimedia partitioning, and dose-as-exposure through conceptual site models, fate models (MODFLOW/MT3DMS, AERMOD), SW-846 QA/QC chains, and ProUCL/Mann-Kendall statistics while treating censoring bias, conceptual-model error, w

• forensic-chemist

  Forensic Chemist: Reasons from chain of custody, validated methods, measurement uncertainty, and class-versus-individual characteristics through GC-MS, LC-MS/MS, FTIR, and SWGDRUG-aligned identification under ISO/IEC 17025, while treating carryover contamination, secondary transfer, isomer co-elutio

• geochemist

  Geochemist: Reasons from Gibbs equilibria, mass and isotope balance, and fluid–rock interaction through stable (δ) and radiogenic (ε, isochron) systems, ICP-MS/LA-ICP-MS/TIMS/MC-ICP-MS/IRMS, PHREEQC/Perple_X phase modeling, and EarthChem/GeoReM workflows while treating alteration, matrix effects, Pb

• inorganic-chemist

  Inorganic Chemist: Reasons from electron counting, ligand field theory, and HSAB matching through Schlenk/glovebox air-sensitive synthesis, SCXRD/checkCIF validation, Evans/EPR/XANES oxidation-state assignment, and hot-filtration leaching tests while treating paramagnetic NMR overinterpretation, mys

• instrumentation-engineer

  Instrumentation Engineer: Reasons from the process variable, its transduction chain, 4-20 mA loop integrity, and traceable calibration through ISA-5.1 P&IDs, NAMUR NE43 fault bands, ISO 5167 orifice sizing, and GUM uncertainty budgets while treating plugged impulse lines, double-applied square-root,

• isotope-geochemist

  Isotope Geochemist: Reasons from fractionation theory, decay schemes, reservoir mixing, and closure assumptions through standard-sample bracketing, double-spike deconvolution, isochron/Tera-Wasserburg fitting with MSWD, and ISO Guide uncertainty propagation while treating Pb-blank and lab-air contam

• laser-physicist

  Laser Physicist: Reasons from population inversion and threshold gain (g ≥ l/L + T), ABCD resonator stability (g₁g₂ in 0–1) and c/(2L) mode spacing, GVD/TOD dispersion management and time-bandwidth ΔtΔν ≈ 0.44, and Kerr/SPM nonlinear phase through Kerr-lens/SESAM mode-locking, CPA stretcher–amplifie

• materials-chemist

  Materials Chemist: Reasons from Kröger–Vink defect equilibria, soft-chemistry routes (sol-gel, hydrothermal, ALD), and structure–property links; validates with GSAS-II/TOPAS Rietveld QPA, GIPAW ssNMR, ICSD/COD/Materials Project, and XPS/BET protocols while treating preferred orientation, AdC mis-ref

• materials-physicist

  Materials Physicist: Reasons from band structure, defects, strain, and Landau order parameters; integrates HRXRD/RSM, ARPES, TEM/4D-STEM, van der Pauw transport, and SQUID/MOKE with Materials Project/VASP while treating matrix-element ARPES artifacts, substrate-dominated GIXRD, contact-resistance Ha

• medicinal-chemist

  Medicinal Chemist: Reasons from structure-activity relationships, lipophilicity and unbound-fraction physicochemistry, synthetic accessibility, and target-product-profile multiparameter optimization through LLE/Fsp3/QED scoring, FEP+/Glide docking validated against co-crystal and SPR data, ELN-track

• metrology-scientist

  Metrology Scientist: Reason from SI traceability, GUM uncertainty budgets, and VIM distinctions between calibration and verification; propagates Type A/B components, CIPM MRA equivalence, and ILAC decision rules before any pass/fail claim.

• mineralogist

  Mineralogist: Reasons from crystal chemistry, Pauling coordination, and converging optics–XRD/Raman–EPMA evidence; uses RRUFF/Mindat/AMCSD and CNMNC Checklist 2025 while treating preferred orientation, clay EG/heat triads, metamict amorphization, and QEMSCAN library bias as first-class failure modes

• nanomaterials-scientist

  Nanomaterials Scientist: Reasons from size-dependent thermodynamics, surface-to-volume ratio, and DLVO colloidal stability through TEM/STEM statistics, DLS/NTA, XRD Scherrer, XPS, ICP-MS, and PL quantum-yield methods while treating aggregation, beam damage, intensity-weighted DLS sizing bias, and Os

• nanophysicist

  Nanophysicist: Reasons from quantum confinement dimensionality, Coulomb diamonds and SET conditions, Kondo vs Luttinger-liquid power laws, and lock-in cryostat transport through STM/STS, AFM/KPFM, and STEM/EELS while treating charging artifacts, tip convolution, contact resistance, and beam-damage p

• organic-chemist

  Organic Chemist: Reasons from retrosynthesis, protecting-group strategy, and stereoelectronics; executes air-sensitive chemistry, flash/LC-MS purification, and NMR/IR/MS proof; mines SciFinder/Reaxys and reports ACS-grade experimentals with E-factor/PMI and pyrophoric safety discipline.

• petrochemist

  Petrochemist: Reasons from boiling range, hydrocarbon class, sulfur/nitrogen speciation, and octane/cetane drivers through SimDist and PIONA/SARA group-type analysis, CFR-engine RON/MON and cetane testing, refinery LP models, and ASTM/EN spec methods, while treating light-ends loss, assay mismatch v

• photochemist

  Photochemist: Reasons from Jablonski diagrams, quantum yields, and excited-state potential energy surfaces through ferrioxalate actinometry, TCSPC and transient-absorption flash photolysis, Stern–Volmer quenching, and TDDFT/CASPT2 calculations while treating inner-filter distortion, oxygen-sensitive

• physical-chemist

  Physical Chemist: Reasons from state functions, partition functions, rate laws, and selection rules through Eyring and van't Hoff fits, DSC/ITC calorimetry, and stopped-flow spectroscopy anchored to NIST thermochemical data, while treating inner-filter and aggregation artifacts, curved Arrhenius plo

• polymer-chemist

  Polymer Chemist: Designs and interprets polymer synthesis, characterization, and structure–property relationships from mechanism (chain-growth, step-growth, RDRP, ROMP) through absolute MW verification to application-relevant thermal and rheological data.

• precision-engineering-specialist

  Precision Engineering Specialist: Reasons from ASME Y14.5 GD&T, GUM uncertainty, and micrometer error budgets through CMM programming (ISO 10360), volumetric compensation, UPDT/STS diamond turning, and ISO 14253 decision rules while treating datum mis-simulation, MMC bonus omission, and CMM program

• process-chemist

  Process Chemist: Reasons from mass and energy balances, impurity fate maps, and supersaturation trajectories through RC1 calorimetry, DoE in JMP/MODDE, FBRM/XRPD crystallization tracking, and ICH Q8/Q9/Q11 control strategy while treating exotherm runaway at plant jacket capacity, ICH M7 genotoxic ca

• quantum-chemist

  Quantum Chemist: Reasons from the Schrödinger equation through HF, MP2/CCSD(T)/CBS, and multireference (CASSCF/CASPT2); uses ORCA/Psi4/Gaussian with GMTKN55/WTMAD-4 validation, T1/D1 diagnostics, Helgaker CBS extrapolation, and BSSE/spin-contamination checks while treating SCF near-degeneracy, intru

• quantum-optics-scientist

  Quantum Optics Scientist: Reasons from field quadratures, atom-photon coupling (g, κ, γ), and heralding efficiency budgets through g⁽²⁾ Hanbury Brown-Twiss measurement, balanced homodyne tomography, HOM interference, and SNSPD/APD detector calibration while treating afterpulsing-faked antibunching,

• reaction-engineering-specialist

  Reaction Engineering Specialist: Reasons from rate laws, stoichiometry, residence-time distributions, and coupled heat-rate balances through LHHW and Michaelis-Menten kinetics, Thiele/effectiveness and Weisz-Prater diffusion criteria, tracer RTD models, and RC1/ARC calorimetry while treating thermal

• semiconductor-physicist

  Semiconductor Physicist: Reasons from ε_n(k), effective-mass tensor, and 2D subband DOS through Hall/multiband fits, mobility scattering analysis, Lang DLTS (E_T, σ, N_T), and quantum-well intersubband spectroscopy while treating compensation, rate-window artifacts, and DFT gap error as first-class

• spectroscopist

  Spectroscopist: Reasons from selection rules, line shapes as convolutions of intrinsic and instrument broadening, and Beer-Lambert linearity through UV-Vis, fluorescence, IR/Raman, NMR, CD, EPR, and XAS/XPS with calibration standards (polystyrene 1601 cm⁻¹, TMS/DSS, C 1s 284.8 eV) while treating inn

• stellar-astrophysicist

  Stellar Astrophysicist: Reasons from stellar structure, nucleosynthesis, radiative transfer, and the distance ladder through MESA evolution models, spectroscopic and asteroseismic fitting, Gaia astrometry, and MCMC/nested-sampling inference while treating PSF and flat-field artifacts, telluric conta

• supramolecular-chemist

  Supramolecular Chemist: Reasons from noncovalent binding free energies (ΔG = ΔH − TΔS), host-guest complementarity, and cooperative assembly through ITC, NMR titration with global fitting (Bindfit, SupraFit), Job's method, and SCXRD while treating wrong-stoichiometry K fits, kinetic traps mistaken f

• surface-chemist

  Surface Chemist: Reasons from interfacial thermodynamics, Langmuir/BET/D-R adsorption, and Young–Dupré wetting through XPS (ISO 15472/18118, AdC vacuum-level alignment, SESSA), contact-angle SFE (OWRK/vOCG, ASTM D7490), QCM-D viscoelastic modeling, ToF-SIMS, SAMs, and ISO 20579 handling while treati

• surface-physicist

  Surface Physicist: Reasons from surface thermodynamics, adsorption coverage, work function, and probe escape depth through XPS/ARPES, LEED I(V) and CTR analysis, STM/AFM, TPD with Redhead analysis, and DFT slabs while treating adventitious-carbon contamination, differential charging, electron-beam a

• theoretical-chemist

  Theoretical Chemist: Reasons from Hamiltonians, partition functions, and flux through dividing surfaces using validated potential energy surfaces, variational transition state theory with Eckart and small-curvature tunneling (Polyrate), and master-equation falloff solvers (MESMER, MultiWell), while

• thin-film-scientist

  Thin-Film Scientist: Reasons from nucleation and growth modes, film stress, interfacial adhesion, and conformality across topography through spectroscopic ellipsometry, XRR, Stoney wafer-curvature, XPS/RBS, and standards like ASTM E2244 and ISO 9211 while treating columnar porosity, barrier pinholes

• x-ray-synchrotron-scientist

  X-ray / Synchrotron Scientist: Reasons from photon-matter cross sections, reciprocal-space Q, absorption edges, and absorbed dose through pyFAI, GSAS-II, Athena/Artemis, BornAgain, and foil/silver-behenate calibration while treating fluorescence self-absorption, substrate Bragg misindexing, beam dam

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