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Title: MADNESS: A Multiresolution, Adaptive Numerical Environment for Scientific Simulation

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.

Authors:
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Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR) (SC-21); National Science Foundation (NSF)
OSTI Identifier:
1339656
DOE Contract Number:  
AC02-06CH11357
Resource Type:
Journal Article
Resource Relation:
Journal Name: SIAM Journal on Scientific Computing; Journal Volume: 38; Journal Issue: 5
Country of Publication:
United States
Language:
English
Subject:
97 MATHEMATICS AND COMPUTING; 00A72; 65-01; 65E05; 65N99; 65T60; 65Y05; 65Z05; 81-08

Citation Formats

Harrison, Robert J., Beylkin, Gregory, Bischoff, Florian A., Calvin, Justus A., Fann, George I., Fosso-Tande, Jacob, Galindo, Diego, Hammond, Jeff R., Hartman-Baker, Rebecca, Hill, Judith C., Jia, Jun, Kottmann, Jakob S., Yvonne Ou, M-J., Pei, Junchen, Ratcliff, Laura E., Reuter, Matthew G., Richie-Halford, Adam C., Romero, Nichols A., Sekino, Hideo, Shelton, William A., Sundahl, Bryan E., Thornton, W. Scott, Valeev, Edward F., Vázquez-Mayagoitia, Álvaro, Vence, Nicholas, Yanai, Takeshi, and Yokoi, Yukina. MADNESS: A Multiresolution, Adaptive Numerical Environment for Scientific Simulation. United States: N. p., 2016. Web. doi:10.1137/15M1026171.
Harrison, Robert J., Beylkin, Gregory, Bischoff, Florian A., Calvin, Justus A., Fann, George I., Fosso-Tande, Jacob, Galindo, Diego, Hammond, Jeff R., Hartman-Baker, Rebecca, Hill, Judith C., Jia, Jun, Kottmann, Jakob S., Yvonne Ou, M-J., Pei, Junchen, Ratcliff, Laura E., Reuter, Matthew G., Richie-Halford, Adam C., Romero, Nichols A., Sekino, Hideo, Shelton, William A., Sundahl, Bryan E., Thornton, W. Scott, Valeev, Edward F., Vázquez-Mayagoitia, Álvaro, Vence, Nicholas, Yanai, Takeshi, & Yokoi, Yukina. MADNESS: A Multiresolution, Adaptive Numerical Environment for Scientific Simulation. United States. doi:10.1137/15M1026171.
Harrison, Robert J., Beylkin, Gregory, Bischoff, Florian A., Calvin, Justus A., Fann, George I., Fosso-Tande, Jacob, Galindo, Diego, Hammond, Jeff R., Hartman-Baker, Rebecca, Hill, Judith C., Jia, Jun, Kottmann, Jakob S., Yvonne Ou, M-J., Pei, Junchen, Ratcliff, Laura E., Reuter, Matthew G., Richie-Halford, Adam C., Romero, Nichols A., Sekino, Hideo, Shelton, William A., Sundahl, Bryan E., Thornton, W. Scott, Valeev, Edward F., Vázquez-Mayagoitia, Álvaro, Vence, Nicholas, Yanai, Takeshi, and Yokoi, Yukina. Fri . "MADNESS: A Multiresolution, Adaptive Numerical Environment for Scientific Simulation". United States. doi:10.1137/15M1026171.
@article{osti_1339656,
title = {MADNESS: A Multiresolution, Adaptive Numerical Environment for Scientific Simulation},
author = {Harrison, Robert J. and Beylkin, Gregory and Bischoff, Florian A. and Calvin, Justus A. and Fann, George I. and Fosso-Tande, Jacob and Galindo, Diego and Hammond, Jeff R. and Hartman-Baker, Rebecca and Hill, Judith C. and Jia, Jun and Kottmann, Jakob S. and Yvonne Ou, M-J. and Pei, Junchen and Ratcliff, Laura E. and Reuter, Matthew G. and Richie-Halford, Adam C. and Romero, Nichols A. and Sekino, Hideo and Shelton, William A. and Sundahl, Bryan E. and Thornton, W. Scott and Valeev, Edward F. and Vázquez-Mayagoitia, Álvaro and Vence, Nicholas and Yanai, Takeshi and Yokoi, Yukina},
abstractNote = {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.},
doi = {10.1137/15M1026171},
journal = {SIAM Journal on Scientific Computing},
number = 5,
volume = 38,
place = {United States},
year = {Fri Jan 01 00:00:00 EST 2016},
month = {Fri Jan 01 00:00:00 EST 2016}
}