,Gauss-Legendre-spherical-tCUDA.

James E Gonzales1,2, Wonmuk Hwang1,3,4,5, Bernard R Brooks2

  • 1Department of Biomedical Engineering, Texas A&M University, College Station, Texas 77843, USA.

概括

我们开发了高斯-莱根德-球形-t (GLST) 算法,以加速分子动力学 (MD) 模拟中的静电相互作用. 在平行架构上,GLST提供了O(N) 缩放,以实现高效的远程计算.

相关概念视频

Gauss's Law: Spherical Symmetry01:26

Gauss's Law: Spherical Symmetry

A charge distribution has spherical symmetry if the density of charge depends only on the distance from a point in space and not on the direction. In other words, if the system is rotated, it doesn't look different. For instance, if a sphere of radius R is uniformly charged with charge density ρ0, then the distribution has spherical symmetry. On the other hand, if a sphere of radius R is charged so that the top half of the sphere has a uniform charge density ρ1 and the bottom half...
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Gauss's Law: Problem-Solving01:10

Gauss's Law: Problem-Solving

Gauss's law helps determine electric fields even though the law is not directly about electric fields but electric flux. In situations with certain symmetries (spherical, cylindrical, or planar) in the charge distribution, the electric field can be deduced based on the knowledge of the electric flux. In these systems, we can find a Gaussian surface S over which the electric field has a constant magnitude. Furthermore, suppose the electric field is parallel (or antiparallel) to the area...
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Gauss's Law: Cylindrical Symmetry01:20

Gauss's Law: Cylindrical Symmetry

A charge distribution has cylindrical symmetry if the charge density depends only upon the distance from the axis of the cylinder and does not vary along the axis or with the direction about the axis. In other words, if a system varies if it is rotated around the axis or shifted along the axis, it does not have cylindrical symmetry. In real systems, we do not have infinite cylinders; however, if the cylindrical object is considerably longer than the radius from it that we are interested in,...
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Gauss's Law: Planar Symmetry01:27

Gauss's Law: Planar Symmetry

A planar symmetry of charge density is obtained when charges are uniformly spread over a large flat surface. In planar symmetry, all points in a plane parallel to the plane of charge are identical with respect to the charges. Suppose the plane of the charge distribution is the xy-plane, and the electric field at a space point P with coordinates (x, y, z) is to be determined. Since the charge density is the same at all (x, y) - coordinates in the z = 0 plane, by symmetry, the electric field at P...
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