Search Results for "chemical kinetics simulator"
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Showing 17 open source projects for "chemical kinetics simulator"
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Catalyst.jl
Chemical reaction network and systems biology interface
Catalyst.jl is a symbolic modeling package for analysis and high-performance simulation of chemical reaction networks. Catalyst defines symbolic ReactionSystems, which can be created programmatically or easily specified using Catalyst's domain-specific language (DSL). Leveraging ModelingToolkit and Symbolics.jl, Catalyst enables large-scale simulations through auto-vectorization and parallelism. Symbolic ReactionSystems can be used to generate ModelingToolkit-based models, allowing the easy simulation and parameter estimation of mass action ODE models, Chemical Langevin SDE models, stochastic chemical kinetics jump process models, and more. ... -
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DWSIM - Open Source Process Simulator
Simulate chemical processes using advanced thermodynamic models
DWSIM is an open source, CAPE-OPEN compliant chemical process simulator for Windows, Linux and macOS systems. Written in VB.NET and C#, DWSIM features a comprehensive set of unit operations, advanced thermodynamic models, support for reacting systems, petroleum characterization tools and a fully-featured graphical interface. DWSIM Pro is a commercial sibling of DWSIM built on top of open-source software. -
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MesoRD is a stochastic and deterministic simulator of coupled chemical reactions and diffusions in space.
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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.
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nlabck
Numerical Laboratory on Chemical Kinetics
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. -
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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 the proposed empirical mathematical model was verified with experimental data to predict conversion rate of curing kinetics. ...
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OpSim - Open Source Process Simulator
An open source process simulator
**19-OCT-2017 PROJECT MOVED TO GITHUB** OpSim is an open source Chemical Engineering Process Simulator with a user friendly drag-and-drop graphical user interface (GUI) and an underlying high performance simulation engine. -
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cupSODA
Deterministic simulator of mass-action based models
cupSODA is a simulator of biological systems that exploits the remarkable memory bandwidth and computational capability of GPUs. cupSODA allows to efficiently execute in parallel large numbers of simulations, which are usually required to investigate the emergent dynamics of a given biological system under different conditions. cupSODA works by automatically deriving the system of ordinary differential equations from a reaction-based mechanistic model, defined according to the mass-action kinetics, and then exploiting the numerical integration algorithm, LSODA -
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ViennaTS
The Vienna Topography Simulator
ViennaTS is a C++, OpenMP-parallelized Topography simulator, focusing on processing challenges for micro- and nanoelectronics. At its core is the Level Set framework, allowing for an implicit surface description of material surfaces and interfaces. Within this framework models for geometry manipulation such as boolean operations and chemical mechanical planarization have been implemented. -
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Chemical Kinectics Solver
Basic Chemical Kinetics Solver
The project lives on GitHub - please see: https://github.com/DetlevCM/chemical-kinetics-solver -
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ForStoch
Fortran Stochastic Simulator for Chemical Kinetics
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 approximation algorithms. ... -
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NanoHive is a modular simulator used for modelling the physical world at a nanometer scale. The intended purpose of the simulator is to act as a tool for the study and development of nanotech entities. The project will also focus on the simulation of complex biological applications such as Targeted Drug Delivery by simulating nanowires, magnetic nanoparticles and others. Updates will follow from January 2017.
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PLASMAKIN: a chemical kinetics package
A library to compute the electron and chemical kinetics on plasmas
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. -
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This project intends to create a bacteria simulator framework, with some realistic bacteria control methods based on chemical signaling, simple sensors, motors and neural networks. The bacteria will evolve in a genetic algorithm environment.
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CheMecher is a fully-featured chemical simulator that supports an arbitrary number of reaction steps and chemical species. Uses the Runge-Kutta algorithm for numeric solutions.
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this program solves inverse problem of chemical kinetics on gpu and cpu,using ati stream,mpi and openmp
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This program simulates the performance of the supersonic continuous wave chemical laser by solving 2D-system of Navier-Stokes equations in slender-jet approximation that includes multi-component diffusion, non-equilibrium chemical reactions and radiation
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