• 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]
  • predator-prey interactions modelled by nonlinear reaction-diffusion systems. The collection of codes ... predator-prey interactions modelled by a nonlinear reaction-diffusion 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...
  • Kiva-2

  • 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, time-dependent reactor networks, and steady...
  • PHREEQC

  • Referenced in 30 articles [sw07853]
  • Computer Program for Speciation, Batch-Reaction, One-Dimensional Transport, and Inverse Geochemical Calculations. PHREEQC version ... speciation and saturation-index calculations; (2) batch-reaction and one-dimensional (1D) transport calculations with ... reversible and irreversible reactions, which include aqueous, mineral, gas, solid-solution, surface-complexation ... 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 reaction-diffusion 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 reaction-diffusion 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 finite-rate 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 reaction-transport processes in complex geometries. We have developed ... flexible software framework for general stochastic reaction-transport modeling and simulation. URDME uses Unstructured triangular ... resolve general geometries, and relies on the Reaction-Diffusion 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 High-Energy Reactions of PArticles in lepton-lepton, lepton-photon...
  • IRKC

  • Referenced in 21 articles [sw00452]
  • partial differential equations (PDEs) of diffusion-reaction 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...
  • KIVA-4

  • 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 equilibrium-controlled linear or non-linear sorption ... first-order irreversible or reversible kinetic reactions. Additionally, MT3DMS contains three major transport solution techniques...