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. de 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

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. de 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 Schrödinger 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
Editors	Wolfgang E. Nagel, Dietmar H. Kröner, Michael M. Resch
Publisher	Springer International Publishing AG
Pages	21-45
Number of pages	25
ISBN (Print)	978-3-030-80602-6
State	Published - 2021

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https://link.springer.com/chapter/10.1007/978-3-030-80602-6_2

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Lode, A. U. J., Alon, O. E., Bastarrachea-Magnani, M. A., Bhowmik, A., Buchleitner, A., Cederbaum, L. S., Chitra, R., Fasshauer, E., de 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. (2021). MCTDH-X: The Multiconfigurational Time-Dependent Hartree Method for Indistinguishable Particles High-Performance Computation Project. In W. E. Nagel, D. H. Kröner, & M. M. Resch (Eds.), High Performance Computing in Science and Engineering '20: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2020 (pp. 21-45). Springer International Publishing AG. https://link.springer.com/chapter/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. editor / Wolfgang E. Nagel ; Dietmar H. Kröner ; Michael M. Resch. Springer International Publishing AG, 2021. pp. 21-45

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title = "MCTDH-X: The Multiconfigurational Time-Dependent Hartree Method for Indistinguishable Particles High-Performance Computation Project",

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 Schr{\"o}dinger 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 {de 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.}",

year = "2021",

language = "אנגלית",

isbn = "978-3-030-80602-6",

pages = "21--45",

editor = "Nagel, {Wolfgang E.} and Kr{\"o}ner, {Dietmar H.} and Resch, {Michael M.}",

booktitle = "High Performance Computing in Science and Engineering '20",

publisher = "Springer International Publishing AG",

address = "שוויץ",

}

Lode, AUJ, Alon, OE, Bastarrachea-Magnani, MA, Bhowmik, A, Buchleitner, A, Cederbaum, LS, Chitra, R, Fasshauer, E, de Forges de Parny, L, Haldar, SK, Lévêque, C, Lin, R, Madsen, LB, Molignini, P, Papariello, L, Schäfer, F, Streltsov, AI, Tsatsos, MC & Weiner, SE 2021, MCTDH-X: The Multiconfigurational Time-Dependent Hartree Method for Indistinguishable Particles High-Performance Computation Project. in WE Nagel, DH Kröner & MM Resch (eds), High Performance Computing in Science and Engineering '20: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2020. Springer International Publishing AG, pp. 21-45. <https://link.springer.com/chapter/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. ed. / Wolfgang E. Nagel; Dietmar H. Kröner; Michael M. Resch. Springer International Publishing AG, 2021. 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 - de 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 - 2021

Y1 - 2021

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 Schrödinger 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 Schrödinger 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.

M3 - פרק

SN - 978-3-030-80602-6

SP - 21

EP - 45

BT - High Performance Computing in Science and Engineering '20

A2 - Nagel, Wolfgang E.

A2 - Kröner, Dietmar H.

A2 - Resch, Michael M.

PB - Springer International Publishing AG

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 Nagel WE, Kröner DH, Resch MM, editors, High Performance Computing in Science and Engineering '20: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2020. Springer International Publishing AG. 2021. p. 21-45

MCTDH-X: The Multiconfigurational Time-Dependent Hartree Method for Indistinguishable Particles High-Performance Computation Project

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