OQuPy: a Python package to efficiently simulate non-Markovian open quantum systems with process tensors

Gerald E. Fux, Piper Fowler-Wright, Joel Beckles, Eoin P. Butler, Paul R. Eastham, Dominic Gribben, Jonathan Keeling, Dainius Kilda, Peter Kirton, Ewen D. C. Lawrence, Brendon W. Lovett, Eoin O'Neill, Aidan Strathearn, Roosmarijn de Wit

Research output: Working paperWorking Paper/Preprint

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Abstract

Non-Markovian dynamics arising from the strong coupling of a system to a structured environment is essential in many applications of quantum mechanics and emerging technologies. Deriving an accurate description of general quantum dynamics including memory effects is however a demanding task, prohibitive to standard analytical or direct numerical approaches. We present a major release of our open source software package, OQuPy (Open Quantum System in Python), which provides several recently developed numerical methods that address this challenging task. It utilizes the process tensor approach to open quantum systems in which a single map, the process tensor, captures all possible effects of an environment on the system. The representation of the process tensor in a tensor network form allows an exact yet highly efficient description of non-Markovian open quantum systems (NM-OQS). The OQuPy package provides methods to (1) compute the dynamics and multi-time correlations of quantum systems coupled to single and multiple environments, (2) optimize control protocols for NM-OQS, (3) simulate interacting chains of NM-OQS, and (4) compute the mean-field dynamics of an ensemble of NM-OQS coupled to a common central system. Our aim is to provide an easily accessible and extensible tool for researchers of open quantum systems in fields such as quantum chemistry, quantum sensing, and quantum information.
Original languageEnglish
Place of PublicationIthaca, NY
Number of pages20
DOIs
Publication statusPublished - 24 Jun 2024

Funding

We thank the Unitary Fund community for their support. GEF acknowledges support from EPSRC (EP/L015110/1) and from ERC under grant agreement n.101053159 (RAVE). JB acknowledges support from the Laidlaw Foundation (Leadership and Research Programme scholarship). EPB acknowledges support from the Irish Research Council (GOIPG/2019/1871). DG acknowledges support from the QuantERA II Programme that has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement n.101017733 (“QuSiED”). PRE acknowledges support from Science Foundation Ireland (21- FFP-10142). EDCL acknowledges support from EPSRC (EP/T517938/1). RdW acknowledges support from EPSRC (EP/W524505/1). BWL and JK acknowledge support from EPSRC (EP/T014032/1).

Keywords

  • non-Markovian dynamics
  • quantum mechanics
  • quantum dynamics
  • process tensor
  • Python
  • quantum systems

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