• VMD

  • Referenced in 83 articles [sw18651]
  • distributed free of charge, and includes source code. VMD is designed for modeling, visualization...
  • GreatSPN 1.7

  • Referenced in 41 articles [sw01562]
  • experiment with timed Petri net based modeling techniques. It implements efficient analysis algorithms to allow ... profit purposes, it is distributed free of charge to other universities for educational and research...
  • ISIM

  • Referenced in 4 articles [sw01100]
  • Carlo scheme and simple hard sphere ion models. It is meant to provide an alternative ... distributions around a highly charged molecule using a simple model that takes into account...
  • MIBPB

  • Referenced in 51 articles [sw08106]
  • Poisson–Boltzmann equation (PBE) is an established model for the electrostatic analysis of biomolecules ... approach to analytically resolve the singular charge distribution in biomolecules in order to obtain reliable...
  • FLYCHK

  • Referenced in 4 articles [sw20582]
  • strengths calculated using the Dirac–Hartree–Slater model for spectrum synthesis. Numerous experimental and calculational ... provides meaningful estimates of ionization distributions, well within a charge state for most laboratory applications...
  • Scanalyze

  • Referenced in 7 articles [sw07701]
  • Michelangelo Project (1997-2004) to assemble 3D models of Michelangelo’s statues from laser range ... Urbis Romae Project (1999-2006). This software distribution contains the source code for Scanalyze ... research and commercial use, free of charge, as described at the bottom of this...
  • PPRPA

  • Referenced in 1 article [sw20637]
  • within a model space are calculated. The single-particle density, charge distribution density and transition...
  • Dirac++

  • Referenced in 17 articles [sw37208]
  • interaction with any number of charged ion potentials. The initial wave function can be either ... position and momentum space probability density distributions, various physical observables, such as the expectation values ... contains a large C++ class library to model the geometric algebra representation of spinors that...
  • sPuReMD

  • Referenced in 6 articles [sw12865]
  • describe various data structures, and the charge equilibration solver at the core of the simulation ... freely distributed software with GPL and is currently being used to model diverse systems ranging...
  • DiffCapAnalyzer

  • Referenced in 1 article [sw35631]
  • this tool develops individualized fitted models for each charge and discharge cycle in the data ... gaussian baseline and pseudo-voigt distributions at each peak location...
  • PIC-MCC

  • Referenced in 7 articles [sw03085]
  • code has been developed to study the distribution and acceleration of electrons in electric discharges ... where space charge fields are essential such as in streamer formation. The charged particles ... updated with Poisson’s equation from the charged particle densities. Collisional processes between electrons ... first study in air, with a particle model with realistic spatial dependencies of the electrostatic...
  • PyCOMPSs

  • Referenced in 2 articles [sw28741]
  • solution for easily parallelizing generic scripts on distributed infrastructures, since the current alternatives mostly require ... parallel tasks. A runtime system is in charge of exploiting the inherent concurrency ... resources. Furthermore, we show how this programming model can be built...
  • Antenna Toolbox

  • Referenced in 1 article [sw37111]
  • surface properties such as current and charge distribution, and field properties such as the near ... terrain map using a variety of propagation models...
  • Decon2LS

  • Referenced in 3 articles [sw16610]
  • data, routine peak finding, theoretical isotope distribution modelling, and deisotoping. Because the source code ... tutorials may be downloaded free of charge at http://http:/ncrr.pnl.gov/software...
  • APINetworks

  • Referenced in 1 article [sw22341]
  • different computational approaches involving sequential, parallel or distributed systems with or without ... Application Programming Interface (APINetworks) for the modeling and treatment of general networks in arbitrary computational ... tasks. The structural package, the one in charge of building and handling the network structure...
  • MCMC2

  • Referenced in 1 article [sw10776]
  • 0orQ<0). The interactions between particles are modelled by a sum of pairwise Lennard-Jones ... with same number of charged particles nn and same individual charges q i (Parallel Tempering ... with different q i or n (Parallel Charging Monte Carlo). The code provides statistical data ... structural data (radial and angular distributions), for comprehensive analyses. A complete manual of the code...
  • bsmKinetic

  • Referenced in 0 articles [sw22296]
  • solution within the multichannel stochastic point-transition model. We introduce bsmKinetic, an implementation ... point-transition approach to simulation of the charge transfer kinetics in molecular systems with reorganization ... timescales. The software provides simulation of the charge transfer kinetics in the molecular systems with ... charge transfer occurring in both equilibrium and nonequilibrium regimes. bsmKinetic is open-source software distributed...
  • BARON

  • Referenced in 324 articles [sw00066]
  • BARON is a computational system for solving nonconvex...
  • BoomerAMG

  • Referenced in 168 articles [sw00086]
  • BoomerAMG: A parallel algebraic multigrid solver and preconditioner...
  • Diffpack

  • Referenced in 114 articles [sw00203]
  • As modern programming methodologies migrate from computer science...