Search Results for "chemical kinetics"

... simulation and parameter estimation of mass action ODE models, Chemical Langevin SDE models, stochastic chemical kinetics jump process models, and more. Generated models can be used with solvers throughout the broader SciML ecosystem, including higher-level SciML packages (e.g. for sensitivity analysis, parameter estimation, machine learning applications, etc).

Cantera is a suite of object-oriented software tools for problems involving chemical kinetics, thermodynamics, and/or transport processes. It can be used from MATLAB, Python, C++, or Fortran.

NLabCK is an open source software tool to simulate numerically the behavior of reacting chemical systems or other dynamical systems (changing over time) provided they can be represented as a set of molecular chemical reactions.

Computation of empirical parameters in user-defined non-linear chemical kinetic models. Has a facility to compare 3 empirical models on the same graph to visually judge which model predicts the experimental data better. The empirical models can be input in the GUI as user-defined functions. This tool was written for the publication of "Modelling of Curing Kinetics of Amine Cured Epoxy Resins for Vacuum Assisted Resin Infusion Molding" (The Canadian Journal of Chemical Engineering, 2013), where...

ForStoch is a FORTRAN software suite for Stochastic Simulation of Checimal Kinetics. The stochastic simulation algorithm (SSA), proposed by Gillespie, is a cardinal simulation method for the chemical kinetics. Because the SSA simulates every reaction event, the amount of the computational time is huge when models have many reaction channels and species.This drawback motivates many attempts to improve the efficiency with the accuracy.The ForStoch includes orignial Gillespie SSA and other...

PLASMAKIN is a package to handle physical and chemical data used in plasma physics modeling and to compute gas-phase and gas-surface kinetics data: particle production and loss rates, photon emission spectra and energy exchange rates.

this program solves inverse problem of chemical kinetics on gpu and cpu,using ati stream,mpi and openmp