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Research session — chem_sim_algorithms

Session: 1bdb6322-8399-425d-9257-9b9098475e89 · Cycle: 1 · Agent: numerics_researcher · Status: cycle_complete

Completed steps

Step Run Artifact
survey_sota-1 numerics_researcher-1779916590880 Study · Whitepaper
digest numerics_researcher-1779940539765 Goal digest

Queue (this cycle)

  • Handoff chem-r2-dft-scf-gap → bench_improver / sim-p2-qm-dft-scf (418 harness + Psi4 oracle).
  • Optional follow-up: chem-r1 basis-size scaling table (numerics_researcher).

North star fit

Chemistry / QM — PH-5b (proved numerics), PH-7e (integral/Fock SIMD), domains: scientific_computing, hpc.