\( \require{mhchem} \)
The Kinetic PreProcessor (KPP) is an open-source software tool used in atmospheric chemistry. Taking a set of chemical reactions and their rate coefficients as input, KPP generates Fortran 90, FORTRAN 77, C, or Matlab code of the resulting ordinary differential equations (ODEs). Solving the ODEs allows the temporal integration of the kinetic system. Efficiency is obtained by exploiting the sparsity structures of the Jacobian and of the Hessian. A comprehensive suite of stiff numerical integrators is also provided. Moreover, KPP can be used to generate the tangent linear model, as well as the continuous and discrete adjoint models of the chemical system.
Models using KPP
BASCOE - A data assimilation system based on a chemical transport model and created by the Belgian Institute for Space Aeronomy (BIRA-IASB)
Boream - Model for the degradation of alpha-pinene
BOXMOX - Box model extensions to KPP
CMAQ - Community Multiscale Air Quality model
DSMACC - Dynamically Simple Model of Atmospheric Chemical Complexity
GEOS–Chem - Global 3-D chemical transport model for atmospheric composition
MALTE - Model to predict new aerosol formation in the lower troposphere
MCM - Master Chemical Mechanism
MECCA - Module Efficiently Calculating the Chemistry of the Atmosphere
Mistra - Microphysical Stratus model
PACT-1D - Platform for Atmospheric Chemistry and vertical Transport in 1-dimension
PALM - Meteorological modeling system for atmospheric and oceanic boundary layer flows
RACM - Regional Atmospheric Chemistry Mechanism gas-phase chemistry mechanism
WRF-Chem - Weather Research & Forecasting Model with Chemistry
See also
Chemical kinetics
Autochem
CHEMKIN
Cantera
Chemical WorkBench
External links
KPP documentation
GitHub repository
KPP web page
The Kinetic PreProcessor KPP 3.0.0
The Kinetic PreProcessor KPP-2.1
Forward, Tangent Linear, and Adjoint Runge Kutta Methods in KPP–2.2 for Efficient Chemical Kinetic Simulations
KPPA (the Kinetic PreProcessor: Accelerated)
KPP Fortran to CUDA source-to-source Pre-processor (Open License)
vte
Computational chemistry software
Cheminformatics
Free software
Avalon Cheminformatics Toolkit Bioclipse Blue Obelisk Chemistry Development Kit ECCE JOELib OELib Open Babel RDKit
Proprietary
Canvas Chemicalize Discovery Studio
Chemical kinetics
Free software
APBS Cantera KPP
Proprietary
Autochem Chemical WorkBench CHEMKIN COSILAB DelPhi Khimera
Molecular modelling
and
visualization
List of molecular graphics systems
Free software
Ascalaph Designer Avogadro BALL Biskit Gabedit Ghemical Jmol Molekel PyMOL QuteMol RasMol
Proprietary
Abalone ACD/ChemSketch Atomistix ToolKit ChemDraw ChemWindow EzMol Gaussian Maestro MarvinSketch MarvinView MODELLER Molecular Operating Environment SAMSON Spartan UCSF Chimera VMD
Molecular docking
List of protein-ligand docking software
Free software
AutoDock AutoDock Vina FlexAID rDock
Proprietary
Glide LeDock Molecular Operating Environment
Molecular dynamics
Free software
CP2K GROMACS LAMMPS OpenMM PLUMED
Proprietary
Abalone AMBER CHARMM CPMD Desmond GROMOS NAMD
Quantum chemistry
List of quantum chemistry and solid-state physics software
Free software
ABINIT ACES (CFOUR) AIMAll BigDFT COLUMBUS CONQUEST CP2K Dalton DIRAC DP code FLEUR FreeON MADNESS MPQC NWChem Octopus OpenMolcas PARSEC PSI PyQuante PySCF Quantum ESPRESSO (PWscf) RMG SIESTA VB2000 YAMBO code
Proprietary
ADF AMPAC DMol3 CADPAC CASINO CASTEP CPMD CRUNCH CRYSTAL Firefly GAMESS (UK) GAMESS (US) Gaussian Jaguar MOLCAS MOLPRO MOPAC ONETEP OpenAtom ORCA PLATO PQS Q-Chem Quantemol Scigress Spartan TeraChem TURBOMOLE VASP WIEN2k XMVB
Skeletal structure drawing
Free software
JChemPaint Molsketch XDrawChem
Proprietary
ACD/ChemSketch BIOVIA Draw ChemDoodle ChemDraw ChemWindow JME Molecule Editor MarvinSketch
Others
Aqion Eulim EXC code GenX GSim Mercury CrystalExplorer ICM (ICM-Browser) Materials Studio Molden OpenChrom SASHIMI
Hellenica World - Scientific Library
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