Ewald summation, named after Paul Peter Ewald, is a method for computing long-range interactions (e.g. electrostatic interactions) in periodic systems...

Crystallography) Peter Paul Ewald On the Foundations of Crystal Optics (Air Force Cambridge Research Laboratories, 1970) Ewald summation Ewald's sphere Multiple scattering...

This method is generally more computationally efficient than the Ewald summation. It was proposed by Dieter Wolf. Wolf, D; Keblinski, P; Phillpot, S...

mathematics, the Poisson summation formula is an equation that relates the Fourier series coefficients of the periodic summation of a function to values...

Reich Ewald's sphere (named after Paul Peter Ewald), a geometric construct used in crystallography Ewald summation (named after Paul Peter Ewald), a method...

field method is an alternative to the popular technique of Ewald summation. Today, Ewald summation is the usual technique of choice, but for many quantities...

Particle–Particle–Particle–Mesh (P3M) is a Fourier-based Ewald summation method to calculate potentials in N-body simulations. The potential could be...

systems) Cell lists Verlet list Bonded interactions Ewald summation Particle mesh Ewald summation (PME) Particle–particle-particle–mesh (P3M) Shifted...

infinity. PBCs can be used in conjunction with Ewald summation methods (e.g., the particle mesh Ewald method) to calculate electrostatic forces in the...

the cutoff radius if sufficient smoothing is not used. Particle mesh Ewald summation is one solution for this effect, but introduces artifacts of its own...

or the short-range part of the electrostatic interaction when using Ewald summation. Cell lists work by subdividing the simulation domain into cells with...

periodic electrostatic conditions (Ewald summation), a modified version was published later optimized by using the Ewald method for estimating the Coulomb...

of the code and revision control for greater maintainability, PME Ewald summations, tools for NMR refinement, and many others. Currently, AMBER is maintained...

In optics, the Ewald–Oseen extinction theorem, sometimes referred to as just the extinction theorem, is a theorem that underlies the common understanding...

Algorithms are included for NVE, NVT, NPT, anisotropic NPT ensembles, and Ewald summation to treat electrostatic interactions. The code was written in a mix...

efficiency of the fast multipole method is generally similar to that of Ewald summation, but is superior if the particles are clustered, i.e. the system has...

{\frac {N(N-1)}{2}}} interactions. Advanced algorithms, such as the Ewald summation or Fast Multipole Method, reduce this to O ( N log ⁡ N ) {\displaystyle...

faster than a full explicit solvent simulation with the particle mesh Ewald summation (PME) method of electrostatic calculation. There are a range of hybrid...

L. (2004). "A modified TIP3P water potential for simulation with Ewald summation". The Journal of Chemical Physics. 121 (20): 10096–10103. Bibcode:2004JChPh...

of MoM. The fast multipole method (FMM) is an alternative to MoM or Ewald summation. It is an accurate simulation technique and requires less memory and...

used with periodic boundary conditions on the region simulated and Ewald summation techniques are used to speed up computations. In statistics and machine...

stellar systems. It is based on the Barnes–Hut algorithm and uses Ewald summation for periodic forces. ChaNGa makes use of the Charm++ parallel programming...

Fourier transforms are used throughout the CASTEP code, as is the Ewald summation method for Coulombic energies. Along with plane waves and iterative...

Potentials with an infinite range can be summed up efficiently by Ewald summation and its further developments. The forces acting between atoms can be...

constant using either direct summation (for example, the Evjen method) or integral transforms, which are used in the Ewald method. A fast converging formula...

surfaces, series acceleration methods such as Kummer's transformation and Ewald summation is often used to accelerate the computation of the periodic Green's...

addition to the PM calculation. P3M Particle mesh method Particle mesh Ewald method Madelung constant Poisson summation formula Paul Peter Ewald v t e...

cubic cells with periodic boundary conditions in conjunction with Ewald summation techniques. In a more efficient alternative method pursued by, one...

systems. To determine the net forces acting on particles, the Ewald or Lekner summation methods are generally employed. One alternative and usually computationally...

monocular. Neural binocular summation occurs when the binocular response is greater than the probability summation. Probability summation assumes complete independence...