- Referenced in 555 articles
- anything from complex fluid flows involving chemical reactions, turbulence and heat transfer, to solid dynamics...
- Referenced in 281 articles
- knowledge on molecular wiring diagrams of interaction, reaction and relation networks (systems information). It also...
- Referenced in 263 articles
- researchers are able to investigate thousands of reaction combinations to develop a comprehensive understanding...
- Referenced in 202 articles
- used to study molecules and reactions under a wide range of conditions, including both stable...
- Referenced in 86 articles
- 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...
- Referenced in 73 articles
- equations of state and thermonuclear reaction networks. The FLASH code was developed to study...
- Referenced in 68 articles
- flows. Arbitrary numbers of species and chemical reactions are allowed. A stochastic particle method...
- Referenced in 56 articles
- phases of matter, interfaces between these phases, reaction managers, time-dependent reactor networks, and steady...
- Referenced in 30 articles
- 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...
- Referenced in 52 articles
- conjunction with preprocessors for the chemical reaction mechanism and the transport properties. Transport property formulations...
- Referenced in 32 articles
- 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...
- Referenced in 48 articles
- Carlo event generator for simulating hadron emission reactions with interfering gluons. Nature of problem: Simulation...
- Referenced in 34 articles
- 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...
- Referenced in 25 articles
- 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...
- Referenced in 26 articles
- 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...
- Referenced in 41 articles
- automatic geometry optimization, transition state searches, or reaction path following. Computation of the energy hessian...
- Referenced in 39 articles
- generator for the Simulation of High-Energy Reactions of PArticles in lepton-lepton, lepton-photon...
- Referenced in 21 articles
- 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...
- Referenced in 27 articles
- 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...
- Referenced in 22 articles
- 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...