• OpenFOAM

  • Referenced in 555 articles [sw04317]
  • anything from complex fluid flows involving chemical reactions, turbulence and heat transfer, to solid dynamics...
  • Kiva-2

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

  • Referenced in 263 articles [sw06684]
  • flexible and powerful tools for incorporating complex chemical kinetics into simulations of reacting flow. Using ... researchers are able to investigate thousands of reaction combinations to develop a comprehensive understanding ... particular process, which might involve multiple chemical species, concentration ranges, and gas temperatures. Since...
  • PREMIX

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

  • Referenced in 281 articles [sw13866]
  • chemical information) that are integrated with the knowledge on molecular wiring diagrams of interaction, reaction...
  • SENKIN

  • Referenced in 25 articles [sw12845]
  • model accounts for finite-rate elementary chemical reactions, and performs kinetic sensitivity analysis with respect ... CHEMKIN package, which handles the chemical reaction mechanism...
  • MesoRD

  • Referenced in 32 articles [sw18202]
  • tool for stochastic simulation of chemical reactions and diffusion. In particular, it is an implementation...
  • 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...
  • ReaxFF

  • Referenced in 23 articles [sw28391]
  • ReaxFF is a program for modeling chemical reactions with atomistic potentials based on the reactive ... optimized the original ReaxFF code. Reactions in complex chemical mixtures totaling hundreds of thousands...
  • MPSalsa

  • Referenced in 24 articles [sw06960]
  • energy transfer, mass transfer and nonequilibrium chemical reactions. Currently, computer simulations of these complex reacting ... equal emphasis on fluid flow and chemical kinetics modeling. In our research, we focus...
  • CERENA

  • Referenced in 14 articles [sw19501]
  • CERENA (ChEmical REaction Network Analyzer) is a MATLAB-based toolbox for the simulation and analysis ... chemical reaction networks using approximations of the Chemical Master Equation solution statistics. CERENA includes ... methods for the analysis of stochastic biochemical reaction networks, focusing on mesoscopic and macroscopic descriptions...
  • crntwin

  • Referenced in 18 articles [sw14624]
  • CRNTWin. The chemical reaction network toolbox...
  • CoNtRol

  • Referenced in 13 articles [sw14067]
  • source framework for the analysis of chemical reaction networks. Summary: We introduce CoNtRol ... based framework for analysis of chemical reaction networks (CRNs). It is designed to be both...
  • Dizzy

  • Referenced in 18 articles [sw35541]
  • stochastic and deterministic simulation of chemical reactions. Developed by the Bolouri institute in Seattle, this...
  • iEzy-drug

  • Referenced in 15 articles [sw22455]
  • efficiency in catalyzing almost all the chemical reactions in cells, enzymes play vitally important roles...
  • HOLOMAC

  • Referenced in 14 articles [sw18067]
  • operating-split strategy, where chemical reactions are solved implicitly with a stiff solver ... reacting flows to understand complex turbulent and chemical phenomena in flames...
  • HOCL

  • Referenced in 9 articles [sw07078]
  • which computation can be seen as chemical reactions between data represented as molecules floating ... where rewrite rules and multisets represent chemical reactions and solutions, respectively. In this article ... gamma$-calculus, which is a chemical model that summarises in a few rules the essence...
  • OPPDIF

  • Referenced in 13 articles [sw15840]
  • discretized equations. The CHEMKIN package evaluates chemical reaction rates and thermodynamic and transport properties...
  • GAUSSIAN

  • Referenced in 202 articles [sw06118]
  • research in established and emerging areas of chemical interest. Starting from the basic laws ... used to study molecules and reactions under a wide range of conditions, including both stable...