Sandia National Laboratories California

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Tensor Decompositions and Applications

This survey provides an overview of higher-order tensor decompositions, their applications, and available software. A tensor is a multidimensional or N-way array. Decompositions...

Sol-Gel Science: The Physics and Chemistry of Sol-Gel Processing

Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets

Standard sets of supplementary diffuse s and p functions, multiple polarization functions (double and triple sets of d functions), and higher angular momentum polarization funct...

Self-consistent molecular orbital methods. XXIII. A polarization-type basis set for second-row elements

The 6-31G* and 6-31G** basis sets previously introduced for first-row atoms have been extended through the second-row of the periodic table. Equilibrium geometries for one-heavy...

Digital Filters

Efficient MATLAB Computations with Sparse and Factored Tensors

In this paper, the term tensor refers simply to a multidimensional or N-way array, and we consider how specially structured tensors allow for efficient storage and computation. ...

Algorithm 862

Tensors (also known as multidimensional arrays or N -way arrays) are used in a variety of applications ranging from chemometrics to psychometrics. We describe four MATLAB classe...

Computational aspects of many-body potentials

Ellipse rotation studies in laser host materials

Using a TEM <inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">00q</inf> near Gaussian mode ruby laser system we report the first exp...