• NDSPMHD

  • Referenced in 45 articles [sw10435]
  • showing how the equations of motion and energy can be self-consistently derived from ... approach between SPH and other particle methods. In doing so, we also critique several ’urban...
  • GSGPEs

  • Referenced in 9 articles [sw10779]
  • direct minimization of the energy functional through a Newton-like method with an approximate line...
  • SQG

  • Referenced in 19 articles [sw00907]
  • trace. Another application area of such methods consists of multiperiod dynamic stochastic models with parametrized ... Supply chain management, financial applications, telecommunications, and energy generation are among the sources of such...
  • GEMS3K

  • Referenced in 4 articles [sw19058]
  • solutions, and melts). Direct Gibbs energy minimization (GEM) methods have numerous advantages for the realistic...
  • DL_MONTE

  • Referenced in 2 articles [sw37767]
  • switch Monte Carlo (LSMC) method for evaluating precise free energy differences between ... competing polymorphs; various commonly-used methods for evaluating free energy profiles along transition pathways (including ... application of the histogram reweighting analysis method. We provide two `real world’ examples to elucidate ... methods in DL_MONTE. In particular, we apply umbrella sampling to calculate the free energy...
  • Refprop

  • Referenced in 34 articles [sw24947]
  • that applies mixing rules to the Helmholtz energy of the mixture components; it uses ... with either fluid-specific correlations, an ECS method, or in some cases the friction theory...
  • SoftExplorer

  • Referenced in 4 articles [sw01959]
  • applications We present a method to estimate the power and energy consumption of an algorithm ... algorithm. Then we demonstrate a method to choose the processor and its operating frequency ... order to minimize the global energy consumption...
  • ALEGRA

  • Referenced in 12 articles [sw08879]
  • method including an important improvement in the basic conservation of energy in the scheme...
  • topopt_multi

  • Referenced in 17 articles [sw25723]
  • Cahn system and regularized projected steepest descent method. A new computational algorithm is introduced ... multiphase volume constrained Ginzburg-Landau energy functional. The update procedure is based on the gradient ... fractional step projected steepest descent method. In the first step, the new design is found...
  • MMM2D

  • Referenced in 4 articles [sw18357]
  • present a new method to accurately calculate the electrostatic energy and forces on charges being ... based on an Ewald summation method and as such does not require any fine-tuning ... energies and the forces are derived and numerically verified. Already for small systems our method...
  • TTDock

  • Referenced in 4 articles [sw35063]
  • proposed. This method allows one to find the position of the energy global minimum ... method based on tensor train decompositions is up to 10 times faster, whereas the energy...
  • ChemShell

  • Referenced in 1 article [sw21148]
  • quantum refinement of crystal structures, free energy methods, and excited-state calculations. ChemShell has been...
  • CP2K

  • Referenced in 8 articles [sw15391]
  • DFTB, LDA, GGA, MP2, RPA, semi-empirical methods (AM1, PM3, PM6, RM1, MNDO, …), and classical ... level spectroscopy, energy minimization, and transition state optimization using NEB or dimer method. (Detailed overview...
  • LS-VISM

  • Referenced in 3 articles [sw16158]
  • package collects computer codes that implement numerical methods for a variational implicit-solvent model (VISM ... coefficients. The output includes estimated solvation free energies and optimal macroscopic solute–solvent interfaces that ... obtained by minimizing the VISM solvation free-energy functional among all possible solute–solvent interfaces ... level-set method for relaxing the VISM free-energy functional and a compact coupling interface...
  • TSIL

  • Referenced in 9 articles [sw00981]
  • self-energy calculations in relativistic quantum field theory in four dimensions. Solution method: Analytical evaluation...
  • MMM1D

  • Referenced in 2 articles [sw18358]
  • present a new method to accurately calculate the electrostatic energy and forces on charges ... similar to the Lekner method. Rigorous error bounds for the energies and the forces...
  • MPSalsa

  • Referenced in 24 articles [sw06960]
  • complex systems with coupled fluid flow, thermal energy transfer, mass transfer and nonequilibrium chemical reactions ... based on robust MP iterative solution methods...
  • NSOL

  • Referenced in 2 articles [sw21620]
  • solvation energy calculation is needed. However, solvation energy calculation (implicit water, PB, RISM ... constant. While, there exist two methods that calculate solvation energy using solvent accessible surface area ... these methods, as solvent accessible surface area calculate fast, solvation energy could be calculate fast...
  • Prodock

  • Referenced in 1 article [sw33075]
  • scaled collective variable Monte Carlo method plus energy minimization. The incorporation of a local minimization ... Monte Carlo minimization method efficient for docking, a new grid‐based energy evaluation technique using...
  • ABCRATE

  • Referenced in 2 articles [sw00011]
  • energy path (MEP). Vibrational modes are treated in curvilinear internal coordinates. The GTST methods include ... canonical unified! statistical (CUS) model. All vibrational energy levels are quantized, and anharmonicity ... nonclassical reflection may be included and the methods available for transmission ... coefficients include the minimum energy path semiclassical adiabatic ground-state method (MEPSAG, also called...