{"artifact_id":"L1-303","layer":"L1","title":"Eyring Transition State Theory","domain":"Computational Chemistry","sub_domain":"Reaction rate prediction from QM","physics_fingerprint":{"L_DAG":3.4,"title":"Eyring Transition State Theory","domain":"Computational Chemistry","carrier":"none","primitives":["E.quantum_chemistry","E.TS_structure","E.eigensolve","O.rate_k_T"],"sub_domain":"Reaction rate prediction from QM","noise_model":"gaussian","problem_class":"nonlinear_inverse","solution_space":"TS_barrier_frequency","difficulty_delta":5,"integration_axis":"temperature","sensing_mechanism":"rate_vs_T_measurement"},"observable_profile":{"metric":"log_k_error","regime":"Well-posed from QM; inversion for barrier + frequencies requires wide T-range.","secondary":"Ea_error_kcal_mol"},"size_tiers":{"center_spec":{"omega":{"N_atoms":10,"T_K_range":[200,500],"tunneling":"SCT","N_temperatures":15},"input_format":"measurement_only","problem_class":"transition_state_theory","forward_operator":"tst_forward","epsilon_fn_center":"log10(k) <= 0.1"},"omega_bounds":{"N_atoms":[3,1000],"tunneling":["none","Wigner","Eckart","SCT"],"T_K_range_max":[500,3000],"N_temperatures":[3,200]},"epsilon_bounds":{"log_k_error":[0.05,2.0]},"allowed_problem_classes":["transition_state_theory"],"allowed_omega_dimensions":["N_atoms","N_temperatures","T_K_range","tunneling"],"allowed_forward_operators":["tst_forward"]},"hardness_fn":{"type":"epsilon_fn","delta":5,"kappa":300,"metric":"log_k_error"},"initiator_dataset":[{"name":"primary","weight":1.0,"ipfs_cid":null,"license_hash":null}],"status":"testnet","staked_pwm":0.0,"chain_hash":"0x6a06873a0fc9356d7b210f03fedf74cb20434eb31c8ecc1f4433622ce797e545","chain_tx_hash":"0xafab6944916d097c500bbd23356047a99f3f29db5d380c7ed800103d8cd5169b","chain_block":41554114}