
NDSPMHD
 Referenced in 45 articles
[sw10435]
 showing how the equations of motion and energy can be selfconsistently 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 Newtonlike 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 commonlyused 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 fluidspecific 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 GinzburgLandau 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 finetuning ... 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 excitedstate calculations. ChemShell has been...

CP2K
 Referenced in 8 articles
[sw15391]
 DFTB, LDA, GGA, MP2, RPA, semiempirical methods (AM1, PM3, PM6, RM1, MNDO, …), and classical ... level spectroscopy, energy minimization, and transition state optimization using NEB or dimer method. (Detailed overview...

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

TSIL
 Referenced in 9 articles
[sw00981]
 selfenergy 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 groundstate method (MEPSAG, also called...