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Journal of Chemical Theory and Computation, ISSN 1549-9618, 09/2009, Volume 5, Issue 9, pp. 2322 - 2338
We draw on an old technique for improving the accuracy of mesh-based field calculations to extend the popular Smooth Particle Mesh Ewald (SPME... 
Molecular Mechanics | ARTIFACTS | ALGORITHM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | VERSION | CHEMISTRY, PHYSICAL | COMPUTER-SIMULATIONS | SYSTEMS | MOLECULAR-DYNAMICS SIMULATIONS | FORCE-FIELDS | SUMS | particle mesh | dynamics | electrostatics | molecular simulation | Gaussian charge | Poisson solver | Green function
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 02/2010, Volume 6, Issue 2, pp. 443 - 458
... results of these subproblems may be reunited with minimal error. A single convolution over the entire cell is also performed, but using a much coarser mesh than the original problem would have required. This “Multi-Level Ewald” (MLE... 
Molecular Mechanics | CODE | SUMMATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | IMPLEMENTATION | CHEMISTRY, PHYSICAL | SIMULATION | HIGHLY EFFICIENT
Journal Article
Annals of Physics, ISSN 0003-4916, 08/2017, Volume 383, pp. 346 - 356
.... •A noninteracting dyon ensemble is studied by particle mesh Ewald’s method.•Free energy of quark-antiquark pair increases linearly by increasing the distance.•Particle mesh... 
Polyakov loop | Ewald’s method | Quark confinement | Dyon gas | Lattice gauge theory | Ewald's method | CALORONS | PHYSICS, MULTIDISCIPLINARY | Analysis | Quarks | Methods | PHYSICS OF ELEMENTARY PARTICLES AND FIELDS | DYONS | BAG MODEL | GAUGE INVARIANCE | QUARK-ANTIQUARK INTERACTIONS | STRING THEORY | FREE ENERGY
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 01/2014, Volume 10, Issue 1, pp. 381 - 390
Ewald summation, which has become the de facto standard for computing electrostatic interactions in biomolecular simulations, formally requires that the simulation box is neutral... 
ELECTROSTATIC INTERACTIONS | LATTICE-SUM METHODS | ARTIFICIAL PERIODICITY | BOUNDARY-CONDITIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | COMPUTER-SIMULATIONS | PARTICLE-MESH EWALD | MOLECULAR-DYNAMICS SIMULATIONS | FINITE-SIZE CORRECTIONS | FREE-ENERGY | CONTINUUM ELECTROSTATICS
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 02/2015, Volume 11, Issue 2, pp. 436 - 450
The Ewald, Particle Mesh Ewald (PME), and Fast Fourier–Poisson (FFP) methods are developed for systems composed of spherical multipole moment expansions... 
BIOMOLECULAR SIMULATIONS | POLARIZABLE FORCE-FIELD | X-POL | INTERACTION ENERGIES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | LIQUID WATER | CRYSTALS | CHEMISTRY, PHYSICAL | PARTICLE-MESH EWALD | MOLECULAR-DYNAMICS SIMULATIONS | PERIODIC-SYSTEMS | RANGE ELECTROSTATIC INTERACTIONS | Quantum Theory | Static Electricity | Volatilization | Water - chemistry
Journal Article
EPL, ISSN 0295-5075, 07/2018, Volume 123, Issue 1, p. 10003
.... The methodology can be trivially implemented in existing molecular dynamics or Metropolis Monte Carlo Ewald summation codes, and is applicable also for particle mesh Ewald... 
PHYSICS, MULTIDISCIPLINARY | SYSTEMS | PARTICLE MESH EWALD | ELECTROSTATICS | POTENTIALS | SIMULATION | SUMS | Naturvetenskap | Fysikalisk kemi | Natural Sciences | Kemi | Physical Chemistry | Chemical Sciences
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 04/2012, Volume 136, Issue 16, pp. 164111 - 164111-16
.... We employ a spectral representation in terms of both Fourier series and integrals. This allows us to concisely derive both the 2P Ewald sum and a fast particle mesh Ewald (PME... 
PERIODIC SLAB GEOMETRIES | 3-DIMENSIONAL SYSTEMS | MOLECULAR-DYNAMICS | RAPID CALCULATION | BOUNDARY-CONDITIONS | STRESS TENSOR | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | LATTICE SUMS | PARTICLE MESH EWALD | SURFACE REGION | COULOMB COMPONENT | Mathematical analysis | Mathematical models | Spectra | Representations | Fourier series | Two dimensional | Joints | Standards | Physics - Computational Physics
Journal Article
Journal of Physics Condensed Matter, ISSN 0953-8984, 08/2016, Volume 28, Issue 42, pp. 425101 - 425110
.... Electrostatic interactions are typically modeled using Ewald-based methods, which have become some of the cornerstones upon which many other methods for the numerical computation of electrostatic interactions are based... 
dissipative particle dynamics | Ewald sums | charge distribution | point charges | POLYELECTROLYTES | PHYSICS, CONDENSED MATTER | PROTEIN | SURFACTANTS | MESH | MODEL | PARAMETERS | MESOSCOPIC SIMULATION | AQUEOUS-SOLUTION | DEPENDENCE | SYSTEMS | Computer simulation | Condensed matter | Dynamics | Dissipation | Mathematical models | Formations | Electrostatics | Sums | Physics - Soft Condensed Matter
Journal Article
Journal of computational chemistry, ISSN 0192-8651, 2011, Volume 32, Issue 9, pp. 2031 - 2040
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 10/2015, Volume 119, Issue 41, pp. 13218 - 13226
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 02/2015, Volume 11, Issue 2, pp. 451 - 461
Journal Article
Journal of chemical theory and computation, ISSN 1549-9618, 2010, Volume 6, Issue 2, pp. 443 - 458
We present a new method for decomposing the one convolution required by standard Particle-Particle Particle-Mesh (P(3)M... 
particle mesh | dynamics | electrostatics | molecular simulation | Gaussian charge | Poisson solver | Green function
Journal Article
Research in the Mathematical Sciences, ISSN 2522-0144, 12/2017, Volume 4, Issue 1, pp. 1 - 32
.... The method combines the framework of the Spectral Ewald method for periodic problems (Lindbo and Tornberg in J Comput Phys 229(23):8994–9010, 2010. doi: 10.1016/j.jcp.2010.08.026... 
Mathematics, general | Computational Mathematics and Numerical Analysis | Mathematics | Applications of Mathematics | MATHEMATICS | GREENS-FUNCTIONS | SUSPENSIONS | ALGORITHM | EQUATIONS | SYSTEMS | PARTICLE-MESH EWALD | FAST MULTIPOLE METHOD | SIMULATIONS | 3 DIMENSIONS | FLOW | Mathematics - Numerical Analysis
Journal Article
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