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
TL;DR
MADNESS is a high-level software environment that employs multiresolution and adaptive methods for efficient, scalable scientific simulations of complex equations across multiple dimensions, with applications in chemistry and physics.
Contribution
It introduces a novel multiresolution adaptive framework integrated with petascale parallelism for scientific computing.
Findings
Successfully applied to chemistry and physics simulations
Provides guaranteed precision with adaptive methods
Enhances programmer productivity and code scalability
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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