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; Junchen Pei; 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; Takeshi Yanai; Yukina Yokoi

doi:10.1137/15M1026171

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
, Junchen Pei
, 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, Takeshi Yanai, Yukina Yokoi

University of Colorado Boulder
Humboldt University of Berlin
Virginia Polytechnic Institute and State University
Oak Ridge National Laboratory
Florida State University
Intel
Lawrence Berkeley National Laboratory
Microsoft USA
University of Delaware
Peking University
Argonne National Laboratory
University of Washington
Toyohashi University of Technology
Louisiana State University
Stony Brook University
LaSierra University
Institute for Molecular Science (IMS)

Research output: Contribution to journal › Article › peer-review

86 Scopus citations

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 that are 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.

Original language	English
Pages (from-to)	S123-S142
Journal	SIAM Journal on Scientific Computing
Volume	38
Issue number	5
DOIs	https://doi.org/10.1137/15M1026171
State	Published - 2016

Keywords

High-performance computing
Multiresolution analysis
Scientific simulation

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10.1137/15M1026171

Cite this

Harrison, R. J., Beylkin, G., Bischoff, F. A., Calvin, J. A., Fann, G. I., Fosso-Tande, J., Galindo, D., Hammond, J. R., Hartman-Baker, R., Hill, J. C., Jia, J., Kottmann, J. S., Ou, M. J. Y., Pei, J., Ratcliff, L. E., Reuter, M. G., Richie-Halford, A. C., Romero, N. A., Sekino, H., ... Yokoi, Y. (2016). Madness: A multiresolution, adaptive numerical environment for scientific simulation. SIAM Journal on Scientific Computing, 38(5), S123-S142. https://doi.org/10.1137/15M1026171

@article{a05ff1853eba4b4395cc292881961539,

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 that are 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.",

keywords = "High-performance computing, Multiresolution analysis, Scientific simulation",

author = "Harrison, \{Robert J.\} and Gregory Beylkin and Bischoff, \{Florian A.\} and Calvin, \{Justus A.\} and Fann, \{George I.\} and Jacob Fosso-Tande and Diego Galindo and Hammond, \{Jeff R.\} and Rebecca Hartman-Baker and Hill, \{Judith C.\} and Jun Jia and Kottmann, \{Jakob S.\} and Ou, \{M. J.Yvonne\} and Junchen Pei and Ratcliff, \{Laura E.\} and Reuter, \{Matthew G.\} and Richie-Halford, \{Adam C.\} and Romero, \{Nichols A.\} and Hideo Sekino and Shelton, \{William A.\} and Sundahl, \{Bryan E.\} and Thornton, \{W. Scott\} and Valeev, \{Edward F.\} and {\'A}lvaro V{\'a}zquez-Mayagoitia and Nicholas Vence and Takeshi Yanai and Yukina Yokoi",

note = "Publisher Copyright: {\textcopyright} 2016 Society for Industrial and Applied Mathematics.",

year = "2016",

doi = "10.1137/15M1026171",

language = "English",

volume = "38",

pages = "S123--S142",

journal = "SIAM Journal on Scientific Computing",

issn = "1064-8275",

number = "5",

}

Harrison, RJ, Beylkin, G, Bischoff, FA, Calvin, JA, Fann, GI, Fosso-Tande, J, Galindo, D, Hammond, JR, Hartman-Baker, R, Hill, JC, Jia, J, Kottmann, JS, Ou, MJY, Pei, J, Ratcliff, LE, Reuter, MG, Richie-Halford, AC, Romero, NA, Sekino, H, Shelton, WA, Sundahl, BE, Thornton, WS, Valeev, EF, Vázquez-Mayagoitia, Á, Vence, N, Yanai, T & Yokoi, Y 2016, 'Madness: A multiresolution, adaptive numerical environment for scientific simulation', SIAM Journal on Scientific Computing, vol. 38, no. 5, pp. S123-S142. https://doi.org/10.1137/15M1026171

TY - JOUR

T1 - Madness

T2 - A multiresolution, adaptive numerical environment for scientific simulation

AU - Harrison, Robert J.

AU - Beylkin, Gregory

AU - Bischoff, Florian A.

AU - Calvin, Justus A.

AU - Fann, George I.

AU - Fosso-Tande, Jacob

AU - Galindo, Diego

AU - Hammond, Jeff R.

AU - Hartman-Baker, Rebecca

AU - Hill, Judith C.

AU - Jia, Jun

AU - Kottmann, Jakob S.

AU - Ou, M. J.Yvonne

AU - Pei, Junchen

AU - Ratcliff, Laura E.

AU - Reuter, Matthew G.

AU - Richie-Halford, Adam C.

AU - Romero, Nichols A.

AU - Sekino, Hideo

AU - Shelton, William A.

AU - Sundahl, Bryan E.

AU - Thornton, W. Scott

AU - Valeev, Edward F.

AU - Vázquez-Mayagoitia, Álvaro

AU - Vence, Nicholas

AU - Yanai, Takeshi

AU - Yokoi, Yukina

PY - 2016

Y1 - 2016

N2 - 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 that are 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.

AB - 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 that are 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.

KW - High-performance computing

KW - Multiresolution analysis

KW - Scientific simulation

UR - https://www.scopus.com/pages/publications/84994103502

U2 - 10.1137/15M1026171

DO - 10.1137/15M1026171

M3 - Article

AN - SCOPUS:84994103502

SN - 1064-8275

VL - 38

SP - S123-S142

JO - SIAM Journal on Scientific Computing

JF - SIAM Journal on Scientific Computing

IS - 5

ER -

Madness: A multiresolution, adaptive numerical environment for scientific simulation

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