• energy

  • Referenced in 93 articles [sw08072]
  • their real valued nonnegative distances for inference. Theory and application of energy statistics are discussed ... explore the notion of potential and kinetic energy of goodness...
  • GyroGauge

  • Referenced in 1 article [sw21744]
  • magnetized plasmas based on gyrocenter gauge kinetic theory. Numerical methods based on gyrocenter gauge kinetic...
  • parest_dae

  • Referenced in 7 articles [sw09087]
  • relevant kinetics problems, and perhaps even most of them. By using Galois theory, we prove ... proof of this fact, especially when the kinetics are restricted to unimolecular and bimolecular reactions ... solving the QSSA equations, the Horiuti–Temkin theory, also does not work for many examples ... obtain the values of the large kinetic parameters appearing in the model. These parameters cannot...
  • CppTransport

  • Referenced in 11 articles [sw40977]
  • kinetic terms. It makes no approximations beyond the applicability of tree-level perturbation theory. Given...
  • PHREEQC

  • Referenced in 30 articles [sw07853]
  • model, and the SIT (Specific ion Interaction Theory) aqueous model. Using any of these aqueous ... equilibria, and specified mole transfers of reactants, kinetically controlled reactions, mixing of solutions, and pressure...
  • MIXAGE

  • Referenced in 2 articles [sw11848]
  • studies of space-time neutron kinetics in multigroup diffusion theory. We use mainly stochastic differential...
  • MESMER

  • Referenced in 1 article [sw26915]
  • commonly used theoretical models for describing chemical kinetics are accurate in two limits. When relaxation ... reaction time scales, thermal transition state theory (TST) is the theoretical tool of choice ... relaxation, an energy resolved description like RRKM theory is more appropriate. For intermediate relaxation regimes ... chemical kinetics. As accurate thermodynamics data become more widely available, electronic structure theory is increasingly...
  • Libxc

  • Referenced in 13 articles [sw06863]
  • exchange-correlation functionals for density-functional theory. The aim is to provide a portable, well ... gradient of the density and the kinetic energy density, for the GGA and mGGA cases...
  • MESSI

  • Referenced in 21 articles [sw33875]
  • networks. We show that, under mass-action kinetics, MESSI systems are conservative. We simplify ... which multistationarity takes place, based on the theory of oriented matroids...
  • AEGIS-K

  • Referenced in 1 article [sw02809]
  • Kinetic), is described. The AEGIS-K code is based on the newly developed gyrokinetic theory ... magnetohydrodynamics (MHD) from this newly developed gyrokinetic theory in the proper limit leads the AEGIS ... code to be featured by being fully kinetic in essence but hybrid in appearance...
  • Cyto-Sim

  • Referenced in 5 articles [sw35368]
  • underlying model is based on formal language theory and has been shown to have decidable ... variable levels of abstraction via arbitrary chemical kinetics which link to ordinary differential equations...
  • PROFESS

  • Referenced in 6 articles [sw04202]
  • functional theory calculations Orbital-free density functional theory (OFDFT) is a first principles quantum mechanics ... used in the evaluation of the kinetic energy (unlike Kohn-Sham DFT), and the method...
  • MultiModeCode

  • Referenced in 9 articles [sw40978]
  • multi-field inflation models with canonical kinetic terms and arbitrary potentials, providing the adiabatic, isocurvature ... give a concise review of multifield perturbation theory and a user’s manual...
  • TAMkin

  • Referenced in 0 articles [sw19002]
  • extensible because of its modular structure. Chemical kinetics of unimolecular and bimolecular reactions ... straightforward way using conventional transition state theory, including tunneling corrections and internal rotor refinements ... into the theoretical error margins on the kinetic parameters. Two extensive examples demonstrate the capabilities ... studied, as well as the reaction kinetics of the addition of ethene to the ethyl...
  • LIGKA

  • Referenced in 4 articles [sw02605]
  • particles generated by heating or fusion processes, kinetic effects can lead to the additional destabilisation ... gyrokinetic model [H. Qin, Gyrokinetic theory and computational methods for electromagnetic perturbations in tokamaks, Ph.D ... energetic particles and background kinetic effects. Compared to previous implementations [H. Qin, mentioned above], this...
  • ATLAS

  • Referenced in 1 article [sw18242]
  • density functional theory. Orbital-free density functional theory (OF-DFT) is a promising method ... been aided by progress in constructing kinetic energy functionals and local pseudopotentials. However, the widespread...
  • ScaleSoftPitzer

  • Referenced in 1 article [sw36802]
  • This program is based upon the Pitzer theory of electrolytes, which is generally believed ... common scale inhibitors on nucleation kinetics, with or without hydrate inhibitors, is automatically calculated. Mixing...
  • DensToolKit

  • Referenced in 0 articles [sw20061]
  • detector (LED), information entropy, molecular electrostatic potential, kinetic energy densities KK and GG, among others ... electron density, under the framework of Quantum Theory of Atoms in Molecules. DensToolKit also evaluates...
  • ABCRATE

  • Referenced in 2 articles [sw00011]
  • ABCRATE is a computer program that calculates rate...
  • AMD

  • Referenced in 61 articles [sw00039]
  • Algorithm 837: AMD is a set of routines...