Cutoff Errors in the Ewald Summation Formulae for Point Charge Systems
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Calculation of x-ray scattering patterns from nanocrystals at high x-ray intensity.The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water. II.Optimization of parameters for molecular dynamics simulation using smooth particle-mesh Ewald in GROMACS 4.5.Prediction of binding free energy for adsorption of antimicrobial peptide lactoferricin B on a POPC membrane.Extraction of site-site bridge functions and effective pair potentials from simulations of polar molecular liquids.Three-dimensional Ewald method with correction term for a system periodic in one direction.Mesoscale simulations of biomolecular transport through nanofilters with tapered and cylindrical geometries.The Structure of Liquid and Amorphous Hafnia.Gaussian and plane-wave mixed density fitting for periodic systems.Electrostatic interactions in dissipative particle dynamics-Ewald-like formalism, error analysis, and pressure computation.Conserved charged amino acids are key determinants for fatty acid binding proteins (FABPs)-membrane interactions. A multi-methodological computational approach.Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory.A generalized Ewald decomposition for screened Coulomb interactions.Simulations of Coulomb systems confined by polarizable surfaces using periodic Green functions.Kaiser-Bessel basis for particle-mesh interpolation.Simulations of ionic liquids confined by metal electrodes using periodic Green functions.Error estimate of short-range force calculation in inhomogeneous molecular systems.The liquid-liquid transition in supercooled ST2 water: a comparison between umbrella sampling and well-tempered metadynamics.Source function and plane waves: Toward complete bader analysis.Fast and spectrally accurate Ewald summation for 2-periodic electrostatic systems.Damped reaction field method and the accelerated convergence of the real space Ewald summation.Extension and evaluation of the multilevel summation method for fast long-range electrostatics calculations.Development and application of a particle-particle particle-mesh Ewald method for dispersion interactions.Optimizing working parameters of the smooth particle mesh Ewald algorithm in terms of accuracy and efficiency.Interlaced P3M algorithm with analytical and ik-differentiation.The optimal P3M algorithm for computing electrostatic energies in periodic systems.A particle-particle, particle-density algorithm for the calculation of electrostatic interactions of particles with slablike geometry.Particle-particle, particle-scaling function algorithm for electrostatic problems in free boundary conditions.Accelerating electrostatic pair methods on graphical processing units to study molecules in supercritical carbon dioxide.Parameter Tuning for the NFFT Based Fast Ewald Summation
P2860
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P2860
Cutoff Errors in the Ewald Summation Formulae for Point Charge Systems
description
1992 nî lūn-bûn
@nan
1992 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
1992 թվականի հունվարին հրատարակված գիտական հոդված
@hy
1992年の論文
@ja
1992年論文
@yue
1992年論文
@zh-hant
1992年論文
@zh-hk
1992年論文
@zh-mo
1992年論文
@zh-tw
1992年论文
@wuu
name
Cutoff Errors in the Ewald Summation Formulae for Point Charge Systems
@ast
Cutoff Errors in the Ewald Summation Formulae for Point Charge Systems
@en
type
label
Cutoff Errors in the Ewald Summation Formulae for Point Charge Systems
@ast
Cutoff Errors in the Ewald Summation Formulae for Point Charge Systems
@en
prefLabel
Cutoff Errors in the Ewald Summation Formulae for Point Charge Systems
@ast
Cutoff Errors in the Ewald Summation Formulae for Point Charge Systems
@en
P2860
P3181
P1433
P1476
Cutoff Errors in the Ewald Summation Formulae for Point Charge Systems
@en
P2093
Jiri Kolafa
John W. Perram
P2860
P304
P3181
P356
10.1080/08927029208049126
P577
1992-01-01T00:00:00Z