An improved fast multipole method for electrostatic potential calculations in a class of coarse-grained molecular simulations (Q349218): Difference between revisions

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scientific article

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English	An improved fast multipole method for electrostatic potential calculations in a class of coarse-grained molecular simulations	scientific article

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scholarly article

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title

An improved fast multipole method for electrostatic potential calculations in a class of coarse-grained molecular simulations (English)

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Journal of Computational Physics

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publication date

5 December 2016

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zbMATH Keywords

fast multipole method

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multibody dynamics

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far-field interactions

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coarse-graining

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molecular dynamics

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electrostatic potential field

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describes a project that uses

AMBER

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MaRDI profile type

Publication

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full work available at URL

https://doi.org/10.1016/j.jcp.2014.04.025

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cites work

A fast recursive algorithm for molecular dynamics simulation

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Substructured molecular dynamics using multibody dynamics algorithms

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Efficient Coarse-Grained Molecular Simulations in the Multibody Dynamics Scheme

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AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules

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Q3994787

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A fast algorithm for particle simulations

0 references

A fast adaptive multipole algorithm in three dimensions

0 references

A hierarchical \({\mathcal O}(N)\) force calculation algorithm

0 references

A Fast Adaptive Multipole Algorithm for Particle Simulations

0 references

A fast adaptive multipole algorithm for calculating screened Coulomb (Yukawa) interactions

0 references

The black-box fast multipole method

0 references

GPU accelerated molecular dynamics simulation of thermal conductivities

0 references

General purpose molecular dynamics simulations fully implemented on graphics processing units

0 references

Fast multipole methods on graphics processors

0 references

Efficient methodology for multibody simulations with discontinuous changes in system definition

0 references

Orthogonal complement based divide-and-conquer algorithm for constrained multibody systems

0 references

Identifiers

zbMATH Open document ID

1349.78087

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Mathematics Subject Classification ID

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10.1016/J.JCP.2014.04.025

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Sitelinks

Mathematics(1 entry)

mardi Publication:349218

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+multibody dynamics
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+far-field interactions
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+coarse-graining
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+molecular dynamics
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+electrostatic potential field
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+A fast recursive algorithm for molecular dynamics simulation
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@@ Property / cites work @@
+Substructured molecular dynamics using multibody dynamics algorithms
+Normal rank
@@ Property / cites work @@
+Efficient Coarse-Grained Molecular Simulations in the Multibody Dynamics Scheme
+Normal rank
@@ Property / cites work @@
+AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules
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@@ Property / cites work @@
+Q3994787
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+A fast algorithm for particle simulations
@@ Property / cites work: A fast algorithm for particle simulations / rank @@
+Normal rank
@@ Property / cites work @@
+A fast adaptive multipole algorithm in three dimensions
+Normal rank
@@ Property / cites work @@
+A hierarchical \({\mathcal O}(N)\) force calculation algorithm
+Normal rank
@@ Property / cites work @@
+A Fast Adaptive Multipole Algorithm for Particle Simulations
+Normal rank
@@ Property / cites work @@
+A fast adaptive multipole algorithm for calculating screened Coulomb (Yukawa) interactions
+Normal rank
@@ Property / cites work @@
+The black-box fast multipole method
@@ Property / cites work: The black-box fast multipole method / rank @@
+Normal rank
@@ Property / cites work @@
+GPU accelerated molecular dynamics simulation of thermal conductivities
+Normal rank
@@ Property / cites work @@
+General purpose molecular dynamics simulations fully implemented on graphics processing units
+Normal rank
@@ Property / cites work @@
+Fast multipole methods on graphics processors
@@ Property / cites work: Fast multipole methods on graphics processors / rank @@
+Normal rank
@@ Property / cites work @@
+Efficient methodology for multibody simulations with discontinuous changes in system definition
+Normal rank
@@ Property / cites work @@
+Orthogonal complement based divide-and-conquer algorithm for constrained multibody systems
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@@ Property / DOI @@
+.1016/J.JCP.2014.04.025
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