- A chemical system has to be described in a specific language; KPP analyses the chemical mechanism and builds the derivative function and the Jacobian describing the chemical transformations. Kpp offers transparent support for treating sparsity, checks chemical equations for balance, and provides links to different numerical integrators; the output is C or Fortran code (ready to run).
- KPP is being succesfully used in the academic communities as well as in industry in many countries around the world.
- A Matlab library for the integration of stiff ordinary differential equations. MatlODE implements fully implicit, and singly diagonally implicit Runge-Kutta methods, as well as Rosenbrock methods.
- Forward, Adjoint and Tangent linear integration of ODEs. A FORTRAN library for the integration of ordinary differential equations with direct and adjoint sensitivity analysis capabilities. FATODE implements explicit, fully implicit, and singly diagonally implicit Runge-Kutta methods, as well as Rosenbrock methods.
LN Algorithm (stochastic multistep molecular dynamics)
- Implemented in the popular CHARMM (Chemistry at Harvard Molecular Mechanics) package. LN is included in the standard CHARMM package with versions 27 and above.
- CMAQ v4.5 endowed with adjoint and data assimilation capabilities. CMAQ is the Environmental Protection Agency’s official air quality model.
- GEOS-Chem v7 endowed with adjoint and data assimilation capabilities. GEOS-Chem is a widely used global atmospheric chmistry and transport model.