QuTiP-BoFiN: A bosonic and fermionic numerical hierarchical-equations-of-motion library with applications in light-harvesting, quantum control, and single-molecule electronics

• URL: http://arxiv.org/abs/2010.10806v3
• Date: Wed, 25 Jan 2023 05:44:00 GMT
• Title: QuTiP-BoFiN: A bosonic and fermionic numerical hierarchical-equations-of-motion library with applications in light-harvesting, quantum control, and single-molecule electronics
• Authors: Neill Lambert, Tarun Raheja, Simon Cross, Paul Menczel, Shahnawaz Ahmed, Alexander Pitchford, Daniel Burgarth, Franco Nori
• Abstract summary: "hierarchical equations of motion" (HEOM) is a powerful exact numerical approach to solve the dynamics. It has been extended and applied to problems in solid-state physics, optics, single-molecule electronics, and biological physics. We present a numerical library in Python, integrated with the powerful QuTiP platform, which implements the HEOM for both bosonic and fermionic environments.
• Score: 51.15339237964982
• License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
• Abstract: The "hierarchical equations of motion" (HEOM) method is a powerful exact numerical approach to solve the dynamics and find the steady-state of a quantum system coupled to a non-Markovian and non-perturbative environment. Originally developed in the context of physical chemistry, it has also been extended and applied to problems in solid-state physics, optics, single-molecule electronics, and biological physics. Here we present a numerical library in Python, integrated with the powerful QuTiP platform, which implements the HEOM for both bosonic and fermionic environments. We demonstrate its utility with a series of examples. For the bosonic case, we include demonstrations of fitting arbitrary spectral densities, and an example of the dynamics of energy transfer in the Fenna-Matthews-Olson photosynthetic complex, showing how a suitable non-Markovian environment can protect against pure dephasing. We also demonstrate how the HEOM can be used to benchmark different strategies for dynamical decoupling of a spin from its environment, and show that the Uhrig pulse-spacing scheme is less optimal than equally spaced pulses when the environment's spectral density is very broad. For the fermionic case, we present an integrable single-impurity example, used as a benchmark of the code, and a more complex example of an impurity strongly coupled to a single vibronic mode, with applications to single-molecule electronics.

Related papers

• Spectral Density Modulation and Universal Markovian Closure of Fermionic Environments [0.6990493129893112]
  We show how a thermo-chemical modulation of the spectral density allows replacing the original fermionic environments with simpler, but simpler, ones. We then provide a derivation of the fermionic Markovian closure construction, consisting of a small collection of damped fermionic modes. We describe, in particular, how the use of the Markovian closure allows for a reduction of the time complexity of chain-mapping based algorithms.
  arXiv  Detail & Related papers  (2024-07-13T22:13:44Z)
• Photo-induced dynamics with continuous and discrete quantum baths [0.0]
  We introduce a pure-state unraveled hybrid-bath method that describes a continuous environment via a set of discrete, effective bosonic degrees of freedom. Our method is capable of describing both, a continuous spectral density and sharp peaks embedded into it. We demonstrate that compared to unitary descriptions, a significantly smaller number of bosonic modes suffices to describe the excitonic dynamics accurately.
  arXiv  Detail & Related papers  (2024-06-11T08:20:50Z)
• Bexcitonics: Quasi-particle approach to open quantum dynamics [0.0]
  We develop a quasiparticle approach to capture the dynamics of open quantum systems coupled to bosonic thermal baths. Bexcitonic properties offer a coarse-grained view of the correlated system-bath dynamics and its numerical convergence.
  arXiv  Detail & Related papers  (2024-01-19T22:29:13Z)
• Dynamically Emergent Quantum Thermodynamics: Non-Markovian Otto Cycle [49.1574468325115]
  We revisit the thermodynamic behavior of the quantum Otto cycle with a focus on memory effects and strong system-bath couplings. Our investigation is based on an exact treatment of non-Markovianity by means of an exact quantum master equation.
  arXiv  Detail & Related papers  (2023-08-18T11:00:32Z)
• A Lindblad master equation capable of describing hybrid quantum systems in the ultra-strong coupling regime [0.0]
  We show an approach that can describe the dynamics of hybrid quantum systems in any regime of interaction for an arbitrary electromagnetic (EM) environment. We extend a previous method developed for few-mode quantization of arbitrary systems to the case of ultrastrong light-matter coupling. We show that it outperforms current state-of-the-art master equations for a simple model system, and then study a realistic nanoplasmonic setup where existing approaches cannot be applied.
  arXiv  Detail & Related papers  (2023-05-22T15:59:53Z)
• Quantum emulation of the transient dynamics in the multistate Landau-Zener model [50.591267188664666]
  We study the transient dynamics in the multistate Landau-Zener model as a function of the Landau-Zener velocity. Our experiments pave the way for more complex simulations with qubits coupled to an engineered bosonic mode spectrum.
  arXiv  Detail & Related papers  (2022-11-26T15:04:11Z)
• Decimation technique for open quantum systems: a case study with driven-dissipative bosonic chains [62.997667081978825]
  Unavoidable coupling of quantum systems to external degrees of freedom leads to dissipative (non-unitary) dynamics. We introduce a method to deal with these systems based on the calculation of (dissipative) lattice Green's function. We illustrate the power of this method with several examples of driven-dissipative bosonic chains of increasing complexity.
  arXiv  Detail & Related papers  (2022-02-15T19:00:09Z)
• Quantum Markov Chain Monte Carlo with Digital Dissipative Dynamics on Quantum Computers [52.77024349608834]
  We develop a digital quantum algorithm that simulates interaction with an environment using a small number of ancilla qubits. We evaluate the algorithm by simulating thermal states of the transverse Ising model.
  arXiv  Detail & Related papers  (2021-03-04T18:21:00Z)
• Numerically exact open quantum systems simulations for arbitrary environments using automated compression of environments [0.0]
  We present a numerically exact method for simulating open quantum systems with arbitrary environments. Our approach automatically reduces the large number of environmental degrees of freedom to those which are most relevant. We demonstrate the power of this method by applying it to problems with bosonic, fermionic, and spin environments.
  arXiv  Detail & Related papers  (2021-01-05T17:07:05Z)
• Method of spectral Green functions in driven open quantum dynamics [77.34726150561087]
  A novel method based on spectral Green functions is presented for the simulation of driven open quantum dynamics. The formalism shows remarkable analogies to the use of Green functions in quantum field theory. The method dramatically reduces computational cost compared with simulations based on solving the full master equation.
  arXiv  Detail & Related papers  (2020-06-04T09:41:08Z)

This list is automatically generated from the titles and abstracts of the papers in this site.

This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.