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arXiv · 1507.01888

MADNESS: A Multiresolution, Adaptive Numerical Environment for Scientific Simulation

Robert J. Harrison·Gregory Beylkin·Florian A. Bischoff·Justus A. Calvin·George I. Fann·Jacob Fosso-Tande·Diego Galindo·Jeff R. Hammond·Rebecca Hartman-Baker·Judith C. Hill·Jun Jia·Jakob S. Kottmann·M-J. Yvonne Ou·Laura E. Ratcliff·Matthew G. Reuter·Adam C. Richie-Halford·Nichols A. Romero·Hideo Sekino·William A. Shelton·Bryan E. Sundahl·W. Scott Thornton·Edward F. Valeev·Álvaro Vázquez-Mayagoitia·Nicholas Vence·Yukina Yokoi
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Abstract

MADNESS (multiresolution adaptive numerical environment for scientific simulation) is a high-level software environment for solving integral and differential equations in many dimensions that uses adaptive and fast harmonic analysis methods with guaranteed precision based on multiresolution analysis and separated representations. Underpinning the numerical capabilities is a powerful petascale parallel programming environment that aims to increase both programmer productivity and code scalability. This paper describes the features and capabilities of MADNESS and briefly discusses some current applications in chemistry and several areas of physics.

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Robert J. Harrison, Gregory Beylkin, Florian A. Bischoff, Justus A. Calvin, George I. Fann, Jacob Fosso-Tande, Diego Galindo, Jeff R. Hammond, Rebecca Hartman-Baker, Judith C. Hill, Jun Jia, Jakob S. Kottmann, M-J. Yvonne Ou, Laura E. Ratcliff, Matthew G. Reuter, Adam C. Richie-Halford, Nichols A. Romero, Hideo Sekino, William A. Shelton, Bryan E. Sundahl, W. Scott Thornton, Edward F. Valeev, Álvaro Vázquez-Mayagoitia, Nicholas Vence, Yukina Yokoi. 2015-07-05. MADNESS: A Multiresolution, Adaptive Numerical Environment for Scientific Simulation. https://doi.org/10.1137/15m1026171

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