We present a numerical method to efficiently and accurately recompute the Coulomb potential of a large ensemble of charged particles after a subset of the particles undergoes a change of position. Errors are bounded even after a large number of such shifts, making it practical for use in Monte Carlo Markov chain methods in molecular dynamics, computational astrophysics, computational chemistry, and other applications. The method uses truncated multipole expansions of the potential energy functional and a tree decomposition of the computational domain to reduce the computational complexity. Computational costs scale logarithmically in the size of the problem. Scaling, accuracy, and efficiency are confirmed with numerical experiments. The new...
We introduce the continuous fast multipole method (CFMM), a generalization of the fast multipole met...
Solving an N-body problem, electrostatic or gravitational, is a crucial task and the main computatio...
Abstract Multipole expansion is a powerful technique used in many-body physics to solve dynamical pr...
A number of computational techniques are described that reduce the effort related to the continuous ...
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969...
Evaluating the energy of a system of N bodies interacting via a pairwise potential is naïvely an O(N...
This article introduces a novel approach to increase the performances of N-body simulations. In an N...
Multipole-based algorithms allow for reduction in the effort required to solve the N - body problem ...
AbstractThis paper presents a parallel version of the fast multipole method (FMM). The FMM is a rece...
N-body pairwise interactions are ubiquitous in scientific areas such as astrophysics, fluids mechani...
We introduce the KWIK algorithm for computing the Coulomb energy of N localized charge distributions...
This thesis describes the Fast Multipole Method (FMM). The method reduces the complexity of the Coul...
ABSTRACT: Within molecular dynamics simulations of protein]solvent systems the exact evaluation of l...
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969...
Atomistic modeling of nanostructures such as quantum dots or nanowires often involves numbers of ato...
We introduce the continuous fast multipole method (CFMM), a generalization of the fast multipole met...
Solving an N-body problem, electrostatic or gravitational, is a crucial task and the main computatio...
Abstract Multipole expansion is a powerful technique used in many-body physics to solve dynamical pr...
A number of computational techniques are described that reduce the effort related to the continuous ...
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969...
Evaluating the energy of a system of N bodies interacting via a pairwise potential is naïvely an O(N...
This article introduces a novel approach to increase the performances of N-body simulations. In an N...
Multipole-based algorithms allow for reduction in the effort required to solve the N - body problem ...
AbstractThis paper presents a parallel version of the fast multipole method (FMM). The FMM is a rece...
N-body pairwise interactions are ubiquitous in scientific areas such as astrophysics, fluids mechani...
We introduce the KWIK algorithm for computing the Coulomb energy of N localized charge distributions...
This thesis describes the Fast Multipole Method (FMM). The method reduces the complexity of the Coul...
ABSTRACT: Within molecular dynamics simulations of protein]solvent systems the exact evaluation of l...
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969...
Atomistic modeling of nanostructures such as quantum dots or nanowires often involves numbers of ato...
We introduce the continuous fast multipole method (CFMM), a generalization of the fast multipole met...
Solving an N-body problem, electrostatic or gravitational, is a crucial task and the main computatio...
Abstract Multipole expansion is a powerful technique used in many-body physics to solve dynamical pr...