The MPSDynamics.jl package provides an easy-to-use interface for performing open quantum systems simulations at zero and finite temperatures. The package has been developed with the aim of studying non-Markovian open system dynamics using the state-of-the-art numerically exact Thermalized-Time Evolving Density operator with Orthonormal Polynomials Algorithm based on environment chain mapping. The simulations rely on a tensor network representation of the quantum states as matrix product states (MPS) and tree tensor network states. Written in the Julia programming language, MPSDynamics.jl is a versatile open-source package providing a choice of several variants of the Time-Dependent Variational Principle method for time evolution (including novel bond-adaptive one-site algorithms). The package also provides strong support for the measurement of single and multi-site observables, as well as the storing and logging of data, which makes it a useful tool for the study of many-body physics. It currently handles long-range interactions, time-dependent Hamiltonians, multiple environments, bosonic and fermionic environments, and joint system–environment observables.
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28 August 2024
Research Article|
August 29 2024
MPSDynamics.jl: Tensor network simulations for finite-temperature (non-Markovian) open quantum system dynamics
Special Collection:
Algorithms and Software for Open Quantum System Dynamics
Thibaut Lacroix
;
Thibaut Lacroix
a)
(Conceptualization, Data curation, Investigation, Methodology, Project administration, Software, Writing – original draft)
1
Institut für Theoretische Physik und IQST, Universität Ulm
, Albert-Einstein-Allee 11, D-89081 Ulm, Germany
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Brieuc Le Dé
;
Brieuc Le Dé
b)
(Conceptualization, Data curation, Methodology, Project administration, Software, Validation, Visualization, Writing – original draft, Writing – review & editing)
2
Sorbonne Université, CNRS, Institut des NanoSciences de Paris
, 4 Place Jussieu, 75005 Paris, France
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Angela Riva
;
Angela Riva
c)
(Data curation, Software, Writing – original draft, Writing – review & editing)
3
LPENS, Département de Physique, École Normale Supérieure, Centre Automatique et Systèmes (CAS), MINES ParisTech, Université PSL, Sorbonne Université, CNRS, Inria
, 75005 Paris, France
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Angus J. Dunnett
;
Angus J. Dunnett
d)
(Conceptualization, Methodology, Software, Validation, Writing – review & editing)
4
Multiverse Computing
, 7 rue de la Croix Martre, 91120 Palaiseau, France
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Alex W. Chin
Alex W. Chin
e)
(Conceptualization, Data curation, Project administration, Resources, Supervision, Writing – review & editing)
2
Sorbonne Université, CNRS, Institut des NanoSciences de Paris
, 4 Place Jussieu, 75005 Paris, France
e)Author to whom correspondence should be addressed: [email protected]
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Thibaut Lacroix
1,a)
Brieuc Le Dé
2,b)
Angela Riva
3,c)
Angus J. Dunnett
4,d)
Alex W. Chin
2,e)
1
Institut für Theoretische Physik und IQST, Universität Ulm
, Albert-Einstein-Allee 11, D-89081 Ulm, Germany
2
Sorbonne Université, CNRS, Institut des NanoSciences de Paris
, 4 Place Jussieu, 75005 Paris, France
3
LPENS, Département de Physique, École Normale Supérieure, Centre Automatique et Systèmes (CAS), MINES ParisTech, Université PSL, Sorbonne Université, CNRS, Inria
, 75005 Paris, France
4
Multiverse Computing
, 7 rue de la Croix Martre, 91120 Palaiseau, France
e)Author to whom correspondence should be addressed: [email protected]
a)
Electronic mail: [email protected]
b)
Electronic mail: [email protected]
c)
Electronic mail: [email protected]
d)
Electronic mail: [email protected]
J. Chem. Phys. 161, 084116 (2024)
Article history
Received:
June 12 2024
Accepted:
August 08 2024
Citation
Thibaut Lacroix, Brieuc Le Dé, Angela Riva, Angus J. Dunnett, Alex W. Chin; MPSDynamics.jl: Tensor network simulations for finite-temperature (non-Markovian) open quantum system dynamics. J. Chem. Phys. 28 August 2024; 161 (8): 084116. https://doi.org/10.1063/5.0223107
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