
OpenFOAM
 Referenced in 555 articles
[sw04317]
 anything from complex fluid flows involving chemical reactions, turbulence and heat transfer, to solid dynamics...

KEGG
 Referenced in 281 articles
[sw13866]
 knowledge on molecular wiring diagrams of interaction, reaction and relation networks (systems information). It also...

CHEMKIN
 Referenced in 263 articles
[sw06684]
 researchers are able to investigate thousands of reaction combinations to develop a comprehensive understanding...

GAUSSIAN
 Referenced in 202 articles
[sw06118]
 used to study molecules and reactions under a wide range of conditions, including both stable...

PRED_PREY
 Referenced in 86 articles
[sw12310]
 predatorprey interactions modelled by nonlinear reactiondiffusion systems. The collection of codes ... predatorprey interactions modelled by a nonlinear reactiondiffusion system. Unlike FD2D the systems...

FLASH
 Referenced in 73 articles
[sw17500]
 equations of state and thermonuclear reaction networks. The FLASH code was developed to study...

Kiva2
 Referenced in 68 articles
[sw08987]
 flows. Arbitrary numbers of species and chemical reactions are allowed. A stochastic particle method...

Cantera
 Referenced in 56 articles
[sw15111]
 phases of matter, interfaces between these phases, reaction managers, timedependent reactor networks, and steady...

PHREEQC
 Referenced in 30 articles
[sw07853]
 Computer Program for Speciation, BatchReaction, OneDimensional Transport, and Inverse Geochemical Calculations. PHREEQC version ... speciation and saturationindex calculations; (2) batchreaction and onedimensional (1D) transport calculations with ... reversible and irreversible reactions, which include aqueous, mineral, gas, solidsolution, surfacecomplexation ... specified mole transfers of reactants, kinetically controlled reactions, mixing of solutions, and pressure and temperature...

PREMIX
 Referenced in 52 articles
[sw27815]
 conjunction with preprocessors for the chemical reaction mechanism and the transport properties. Transport property formulations...

MesoRD
 Referenced in 32 articles
[sw18202]
 Stochastic reactiondiffusion simulation with MesoRD. Summary: MesoRD is a tool for stochastic simulation ... chemical reactions and diffusion. In particular, it is an implementation of the next subvolume method ... simulate the Markov process corresponding to the reactiondiffusion master equation. Availability: MesoRD is free...

HERWIG 5.1
 Referenced in 48 articles
[sw02160]
 Carlo event generator for simulating hadron emission reactions with interfering gluons. Nature of problem: Simulation...

GEPASI
 Referenced in 34 articles
[sw07916]
 simulates the kinetics of systems of biochemical reactions and provides a number of tools ... user in translating the language of chemistry (reactions) to mathematics (matrices and differential equations...

SENKIN
 Referenced in 25 articles
[sw12845]
 model accounts for finiterate elementary chemical reactions, and performs kinetic sensitivity analysis with respect ... reaction rates. The program considers five problem types: an adiabatic system with constant pressure ... species composition with respect to the individual reaction rates. The program runs in conjunction with ... CHEMKIN package, which handles the chemical reaction mechanism...

URDME
 Referenced in 26 articles
[sw10400]
 modular framework for stochastic simulation of reactiontransport processes in complex geometries. We have developed ... flexible software framework for general stochastic reactiontransport modeling and simulation. URDME uses Unstructured triangular ... resolve general geometries, and relies on the ReactionDiffusion Master Equation formalism to model...

GAMESS
 Referenced in 41 articles
[sw03002]
 automatic geometry optimization, transition state searches, or reaction path following. Computation of the energy hessian...

SHERPA
 Referenced in 39 articles
[sw09541]
 generator for the Simulation of HighEnergy Reactions of PArticles in leptonlepton, leptonphoton...

IRKC
 Referenced in 21 articles
[sw00452]
 partial differential equations (PDEs) of diffusionreaction type for which the reaction Jacobian has real ... Chebyshev methods which are unconditionally stable for reaction terms and which impose a stability constraint ... implicit terms, originating from the stiff reactions, are not coupled over the spatial grid points ... that solves similar problems without stiff reaction terms...

KIVA4
 Referenced in 27 articles
[sw02561]
 regimes. Arbitrary numbers of species and chemical reactions are allowed. A stochastic particle method ... variety of hydrodynamics problems involving chemical reactions. The code has found a widespread application...

MT3DMS
 Referenced in 22 articles
[sw08693]
 that can simulate advection, dispersion, and chemical reactions of dissolved constituents. MT3DMS uses the output ... advection, dispersion, diffusion, and some chemical reactions including equilibriumcontrolled linear or nonlinear sorption ... firstorder irreversible or reversible kinetic reactions. Additionally, MT3DMS contains three major transport solution techniques...