Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular

-gradient algorithms, indicating that I~QR is the most reliable algorithm when A is ill-conditioned. Categories and Subject Descriptors: G.1.2 [Numerical Analysis]: ApprorJmation--least squares approximation; G.1.3 [Numerical Analysis]: Numerical Linear Algebra--linear systems (direct and

number of possible algorithms for detecting community structure, as well as several other results, including a spectral measure of bipartite structure in networks and a new centrality measure that identifies those vertices that occupy central positions within the communities to which they belong

A new set of benchmarks has been developed for the performance evaluation of highly parallel supercomputers. These benchmarks consist of ve \parallel kernel " benchmarks and three \simulated application" benchmarks. Together they mimic the computation and data movement

This book presents a unified treatment of many different kinds of planning algorithms. The subject lies at the crossroads between robotics, control theory, artificial intelligence, algorithms, and computer graphics. The particular subjects covered include motion planning, discrete planning

We present an iterative method for solving linear systems, which has the property ofminimizing at every step the norm of the residual vector over a Krylov subspace. The algorithm is derived from the Arnoldi process for constructing an l2-orthogonal basis of Krylov subspaces. It can be considered

an approximate eigenvalue. Key words. QR algorithm; convergence analysis; shift strategy; symmetric tridiagonal matrices AMS subject classi…cation. 65F15 1. Introduction. A

Sequential quadratic programming (SQP) methods have proved highly effective for solving constrained optimization problems with smooth nonlinear functions in the objective and constraints. Here we consider problems with general inequality constraints (linear and nonlinear). We assume that first derivatives are available, and that the constraint gradients are sparse. We discuss

We present randomized approximation algorithms for the maximum cut (MAX CUT) and maximum 2-satisfiability (MAX 2SAT) problems that always deliver solutions of expected value at least .87856 times the optimal value. These algorithms use a simple and elegant technique that randomly rounds

Two parallel block tridiagonalization algorithms and implementations for dense real symmetric matrices are presented. Block tridiagonalization is a critical pre-processing step for the block-tridiagonal divide-and-conquer algorithm for computing eigensystems and is useful for many algorithms