Isoprene carries approximately half of the flux of non-methane volatile organic carbon
emitted to the atmosphere by the biosphere. Accurate representation of its oxidation rate and …

Numerical models that combine weather forecasting and atmospheric chemistry are here
referred to as chemical weather forecasting models. Eighteen operational chemical weather …

In the context of science, the well-known adage" a picture is worth a thousand words" might
well be" a model is worth a thousand datasets." In this manuscript we introduce the SciML …

Atmospheric oxidation of isoprene, the most abundantly emitted non-methane hydrocarbon,
affects the abundances of ozone (O 3), the hydroxyl radical (OH), nitrogen oxide radicals …

We present the adjoint of the global chemical transport model GEOS-Chem, focusing on the
chemical and thermodynamic relationships between sulfate–ammonium–nitrate aerosols …

This paper presents the new version 2.1 of the Kinetic PreProcessor (KPP). Taking a set of
chemical reactions and their rate coefficients as input, KPP generates Fortran90, Fortran77 …

Aromatic hydrocarbons, including benzene, toluene, and xylenes, play an important role in
atmospheric chemistry, but the associated chemical mechanisms are complex and …

The task of providing an optimal analysis of the state of the atmosphere requires the
development of efficient computational tools that facilitate an efficient integration of …

The analysis of comprehensive chemical reactions mechanisms, parameter estimation
techniques, and variational chemical data assimilation applications require the development …

Many large mathematical models, not only models arising and used in environmental
studies, are described by systems of partial differential equations. The discretization of the …