“…Using ADIFOR "out of the box," it was feasible to compute this large number of sensitivities with little human effort, and the time required to compute the derivatives mattered little in comparison to the effort required to interpret the 27.7 Mbytes of data produced by one run.We note, however, that AD and the associativity of the chain rule allow for various ways of decreasing the computational cost, both with respect to memory and run time. Derivatives can be computed in parallel[Bischof et at. 1994;Bischof and Wu, 1997], cost can be reduced by techniques such as interface contraction[Hovtand et at., 1997; Bischof and Haghighat, 1996], the number of derivatives can be reduced via "shaped" perturbations [Bischof et at., 1996c], or the understanding of the mathematical underpinnings of a particular algorithm may make it possible to avoid differentiation of parts of the code[Griewank et at., 1993; Carte and Fagan, 1996].Given the sensitivities of individual species, the sensitivity of lumped concentrations of two (or more) species (e.g., RxO v, defined inTable 1) can also be calculated as the sum of products of the concentration fraction and the sensitivity coefficient of each species:•Sij, = ql t•(Ci + Cj•) _. C•i •il + Cj •jl (the average concentrations and percent changes in concentrations of 12 major gas phase species and total sulfate and nitrate formed in all phases during the last hour simulation under various conditions.…”