• OpenFOAM

  • Referenced in 406 articles [sw04317]
  • OpenFOAM® (Open Field Operation and Manipulation) CFD Toolbox is a free, open source CFD software ... anything from complex fluid flows involving chemical reactions, turbulence and heat transfer, to solid dynamics...
  • TINKER

  • Referenced in 10 articles [sw04095]
  • Parameter sets for other widely-used force fields are under consideration for future releases ... charges and polarizable multipoles, a novel reaction field treatment of long range electrostatics, fast distance ... better sampling than standard methods, Elber’s reaction path algorithm, our potential smoothing and search...
  • ReaxFF

  • Referenced in 16 articles [sw28391]
  • modeling chemical reactions with atomistic potentials based on the reactive force field approach. In collaboration ... significantly optimized the original ReaxFF code. Reactions in complex chemical mixtures totaling hundreds of thousands ... modern desktop computer. While traditional force fields have difficulties treating certain elements, such as transition...
  • ReactionKinetics

  • Referenced in 3 articles [sw11480]
  • with applications. Requirements are formulated for a reaction kinetics program package to be useful ... Treating a realistic problem in any field of reaction kinetics raises a series of problems...
  • YASP

  • Referenced in 1 article [sw22336]
  • features now include Coulombic interactions, reaction field approximation, external forces, position restraining, fully vectorised treatment...
  • MT3DMS

  • Referenced in 20 articles [sw08693]
  • that can simulate advection, dispersion, and chemical reactions of dissolved constituents. MT3DMS uses the output ... MODFLOW to establish the groundwater flow field. GMS supports both preprocessing and postprocessing with MT3DMS ... advection, dispersion, diffusion, and some chemical reactions including equilibrium-controlled linear or non-linear sorption...
  • ExGUtils

  • Referenced in 1 article [sw20872]
  • cognitive processes is an important field in Psychology. Reaction times are usually modeled through ... computational tools an essential element in the field. Therefore, there is a strong need...
  • HYTEC

  • Referenced in 11 articles [sw11520]
  • column experiments. Based on a known permeability field, HYTEC evaluates the groundwater flow paths ... matter (ions, organics, colloids) subject to geochemical reactions. The code forms part of a module...
  • HECTOR

  • Referenced in 1 article [sw01330]
  • from the ICRF wave field interactions or from thermonuclear reactions within the confining magnetic fields...
  • Larkin

  • Referenced in 4 articles [sw36286]
  • Reaction KINetics. Chemical reaction kinetics is one of the most important fields of applications where...
  • KANTBP

  • Referenced in 18 articles [sw00482]
  • KANTBP: A program for computing energy levels, reaction matrix and radial wave functions ... hydrogen atom in magnetic field [6] is reduced by separating the radial coordinate ρ from...
  • Data2Dynamics

  • Referenced in 10 articles [sw25272]
  • equations is a popular approach in the field of systems biology. Two of the most ... construct dynamical models of biochemical reaction networks for large datasets and complex experimental conditions...
  • GGL

  • Referenced in 4 articles [sw22850]
  • various fields of research [7]. Their successful application to chemical reaction modelling on a molecular...
  • MUSCOD-II

  • Referenced in 19 articles [sw13053]
  • industrial problems, in particular in the field of chemical engineering. The software has the capability ... several coupled process stages, e.g., a batch reaction step followed by a batch separation step...
  • AMIKS

  • Referenced in 2 articles [sw22460]
  • systems that arise in the following fields of science: linear and nonlinear oscillatory circuits ... chemical reactions, motion of a charged particle in an electromagnetic field, SDE of fluid...
  • PLASMAKIN

  • Referenced in 1 article [sw00712]
  • evaluate the maintenance field, equilibrium populations, relative contribution of each reaction, photon emission spectra...
  • MOIL

  • Referenced in 2 articles [sw35737]
  • with potentials consistent with the AMBER/OPLS force field. The supplied parameter set has proteins ... This includes reaction path calculations (in condensed phases), uses of the mean field approach...
  • RAFT

  • Referenced in 3 articles [sw07829]
  • design and analysis of laboratory and field experiments or it can be used ... strategies. A suite of solvers for transport, reactions and regression are employed so that ... MAPLE, to automate code generation for arbitrary reaction systems. RAFT is expected to be used ... simulator for engineering design for field experiments in groundwater remediation including bioremediation, reactive barriers...
  • SABRE

  • Referenced in 6 articles [sw12884]
  • studied at a molecular level and these reactions can be modeled as transitions ... deterministic analysis by directly computing a mean-field approximation of the system under study...
  • PICLas

  • Referenced in 1 article [sw36414]
  • electrostatic or electromagnetic fields as well as particle collisions with chemical reactions, which are handled ... stochastic manner. Possible chemical reactions that occur within a plasma are modeled by employing macroscopic ... reactive plasma flows. Electrostaic or electromagnetic field are computed by high-order, unstructured discontinuous Galerkin...