MCTDH-X: The multiconfigurational time-dependent hartree method for indistinguishable particles high-performance computation project

A. U.J. Lode; O. E. Alon; M. A. Bastarrachea-Magnani; A. Bhowmik; A. Buchleitner; L. S. Cederbaum; R. Chitra; E. Fasshauer; L. Forges de Parny; S. K. Haldar; C. Lévêque; R. Lin; L. B. Madsen; P. Molignini; L. Papariello; F. Schäfer; A. I. Streltsov; M. C. Tsatsos; S. E. Weiner

doi:10.1007/978-3-030-80602-6_2

MCTDH-X: The multiconfigurational time-dependent hartree method for indistinguishable particles high-performance computation project

A. U.J. Lode, O. E. Alon, M. A. Bastarrachea-Magnani, A. Bhowmik, A. Buchleitner, L. S. Cederbaum, R. Chitra, E. Fasshauer, L. Forges de Parny, S. K. Haldar, C. Lévêque, R. Lin, L. B. Madsen, P. Molignini, L. Papariello, F. Schäfer, A. I. Streltsov, M. C. Tsatsos, S. E. Weiner

Department of Physics

Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review

Abstract

This report introduces the multiconfigurational time-dependent Hartree method for indistinguishable particles (MCTDH-X) high performance computation project and its recent research results. We solved the many-particle Schrodinger equation for time-dependent and time-independent systems using the software implementations of theories in the MCTDH-X family on high-performance computation facilities. Going beyond the commonly applied semi-classical and mean-field pictures, we unveil fascinating and fundamental many-body physics in the correlated electron dynamics within the photoionization of neon, ultracold bosons' hierarchical superfluidity in a cavity, as well as the dynamics of fragmentation, entropy, angular momentum, correlations, and fluctuations of interacting bosons and fermions in one-and two-dimensional double-well potentials. Our present report illustrates how the computational resources at the HLRS for our MCTDH-X applications enabled and boosted our scientific research productivity in the field of many-body physics.

Original language	English
Title of host publication	High Performance Computing in Science and Engineering '20
Subtitle of host publication	Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2020
Publisher	Springer International Publishing
Pages	21-45
Number of pages	25
ISBN (Electronic)	9783030806026
ISBN (Print)	9783030806019
DOIs	https://doi.org/10.1007/978-3-030-80602-6_2
State	Published - 1 Jan 2022

Bibliographical note

Publisher Copyright:
© The Author(s), under exclusive license to Springer Nature Switzerland AG 2021.

ASJC Scopus subject areas

General Computer Science
General Physics and Astronomy
General Engineering
General Chemistry
General Mathematics

Access to Document

10.1007/978-3-030-80602-6_2

Cite this

Lode, A. U. J., Alon, O. E., Bastarrachea-Magnani, M. A., Bhowmik, A., Buchleitner, A., Cederbaum, L. S., Chitra, R., Fasshauer, E., Forges de Parny, L., Haldar, S. K., Lévêque, C., Lin, R., Madsen, L. B., Molignini, P., Papariello, L., Schäfer, F., Streltsov, A. I., Tsatsos, M. C., & Weiner, S. E. (2022). MCTDH-X: The multiconfigurational time-dependent hartree method for indistinguishable particles high-performance computation project. In High Performance Computing in Science and Engineering '20: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2020 (pp. 21-45). Springer International Publishing. https://doi.org/10.1007/978-3-030-80602-6_2

Lode, A. U.J. ; Alon, O. E. ; Bastarrachea-Magnani, M. A. et al. / MCTDH-X : The multiconfigurational time-dependent hartree method for indistinguishable particles high-performance computation project. High Performance Computing in Science and Engineering '20: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2020. Springer International Publishing, 2022. pp. 21-45

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abstract = "This report introduces the multiconfigurational time-dependent Hartree method for indistinguishable particles (MCTDH-X) high performance computation project and its recent research results. We solved the many-particle Schrodinger equation for time-dependent and time-independent systems using the software implementations of theories in the MCTDH-X family on high-performance computation facilities. Going beyond the commonly applied semi-classical and mean-field pictures, we unveil fascinating and fundamental many-body physics in the correlated electron dynamics within the photoionization of neon, ultracold bosons' hierarchical superfluidity in a cavity, as well as the dynamics of fragmentation, entropy, angular momentum, correlations, and fluctuations of interacting bosons and fermions in one-and two-dimensional double-well potentials. Our present report illustrates how the computational resources at the HLRS for our MCTDH-X applications enabled and boosted our scientific research productivity in the field of many-body physics.",

author = "Lode, {A. U.J.} and Alon, {O. E.} and Bastarrachea-Magnani, {M. A.} and A. Bhowmik and A. Buchleitner and Cederbaum, {L. S.} and R. Chitra and E. Fasshauer and {Forges de Parny}, L. and Haldar, {S. K.} and C. L{\'e}v{\^e}que and R. Lin and Madsen, {L. B.} and P. Molignini and L. Papariello and F. Sch{\"a}fer and Streltsov, {A. I.} and Tsatsos, {M. C.} and Weiner, {S. E.}",

note = "Publisher Copyright: {\textcopyright} The Author(s), under exclusive license to Springer Nature Switzerland AG 2021.",

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doi = "10.1007/978-3-030-80602-6_2",

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Lode, AUJ, Alon, OE, Bastarrachea-Magnani, MA, Bhowmik, A, Buchleitner, A, Cederbaum, LS, Chitra, R, Fasshauer, E, Forges de Parny, L, Haldar, SK, Lévêque, C, Lin, R, Madsen, LB, Molignini, P, Papariello, L, Schäfer, F, Streltsov, AI, Tsatsos, MC & Weiner, SE 2022, MCTDH-X: The multiconfigurational time-dependent hartree method for indistinguishable particles high-performance computation project. in High Performance Computing in Science and Engineering '20: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2020. Springer International Publishing, pp. 21-45. https://doi.org/10.1007/978-3-030-80602-6_2

MCTDH-X: The multiconfigurational time-dependent hartree method for indistinguishable particles high-performance computation project. / Lode, A. U.J.; Alon, O. E.; Bastarrachea-Magnani, M. A. et al.
High Performance Computing in Science and Engineering '20: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2020. Springer International Publishing, 2022. p. 21-45.

Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review

TY - CHAP

T1 - MCTDH-X

T2 - The multiconfigurational time-dependent hartree method for indistinguishable particles high-performance computation project

AU - Lode, A. U.J.

AU - Alon, O. E.

AU - Bastarrachea-Magnani, M. A.

AU - Bhowmik, A.

AU - Buchleitner, A.

AU - Cederbaum, L. S.

AU - Chitra, R.

AU - Fasshauer, E.

AU - Forges de Parny, L.

AU - Haldar, S. K.

AU - Lévêque, C.

AU - Lin, R.

AU - Madsen, L. B.

AU - Molignini, P.

AU - Papariello, L.

AU - Schäfer, F.

AU - Streltsov, A. I.

AU - Tsatsos, M. C.

AU - Weiner, S. E.

PY - 2022/1/1

Y1 - 2022/1/1

N2 - This report introduces the multiconfigurational time-dependent Hartree method for indistinguishable particles (MCTDH-X) high performance computation project and its recent research results. We solved the many-particle Schrodinger equation for time-dependent and time-independent systems using the software implementations of theories in the MCTDH-X family on high-performance computation facilities. Going beyond the commonly applied semi-classical and mean-field pictures, we unveil fascinating and fundamental many-body physics in the correlated electron dynamics within the photoionization of neon, ultracold bosons' hierarchical superfluidity in a cavity, as well as the dynamics of fragmentation, entropy, angular momentum, correlations, and fluctuations of interacting bosons and fermions in one-and two-dimensional double-well potentials. Our present report illustrates how the computational resources at the HLRS for our MCTDH-X applications enabled and boosted our scientific research productivity in the field of many-body physics.

AB - This report introduces the multiconfigurational time-dependent Hartree method for indistinguishable particles (MCTDH-X) high performance computation project and its recent research results. We solved the many-particle Schrodinger equation for time-dependent and time-independent systems using the software implementations of theories in the MCTDH-X family on high-performance computation facilities. Going beyond the commonly applied semi-classical and mean-field pictures, we unveil fascinating and fundamental many-body physics in the correlated electron dynamics within the photoionization of neon, ultracold bosons' hierarchical superfluidity in a cavity, as well as the dynamics of fragmentation, entropy, angular momentum, correlations, and fluctuations of interacting bosons and fermions in one-and two-dimensional double-well potentials. Our present report illustrates how the computational resources at the HLRS for our MCTDH-X applications enabled and boosted our scientific research productivity in the field of many-body physics.

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U2 - 10.1007/978-3-030-80602-6_2

DO - 10.1007/978-3-030-80602-6_2

M3 - Chapter

AN - SCOPUS:85142540734

SN - 9783030806019

SP - 21

EP - 45

BT - High Performance Computing in Science and Engineering '20

PB - Springer International Publishing

ER -

Lode AUJ, Alon OE, Bastarrachea-Magnani MA, Bhowmik A, Buchleitner A, Cederbaum LS et al. MCTDH-X: The multiconfigurational time-dependent hartree method for indistinguishable particles high-performance computation project. In High Performance Computing in Science and Engineering '20: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2020. Springer International Publishing. 2022. p. 21-45 doi: 10.1007/978-3-030-80602-6_2

MCTDH-X: The multiconfigurational time-dependent hartree method for indistinguishable particles high-performance computation project

Abstract

Bibliographical note

ASJC Scopus subject areas

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