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SciPost Physics Codebases

Codebase release 1.3 for QArray

Barnaby van Straaten, Joseph Hickie, Lucas Schorling, Jonas Schuff, Federico Fedele, Natalia Ares

Published Oct 21, 2024• 5 citations
Publisher

Abstract

Semiconductor quantum dot arrays are a leading architecture for the development of quantum technologies. Over the years, the constant capacitance model has served as a fundamental framework for simulating, understanding, and navigating the charge stability diagrams of small quantum dot arrays. However, while the size of the arrays keeps growing, solving the constant capacitance model becomes computationally prohibitive. This paper presents an open-source software package able to compute a 100 × 100 100 × 100 pixels charge stability diagram of a 16-dot array in less than a second. Smaller arrays can be simulated in milliseconds - faster than they could be measured experimentally, enabling the creation of diverse datasets for training machine learning models and the creation of digital twins that can interface with quantum dot devices in real-time. Our software package implements its core functionalities in the systems programming language Rust and the high-performance numerical computing library JAX. The Rust implementation benefits from advanced optimisations and parallelisation, enabling the users to take full advantage of multi-core processors. The JAX implementation allows for GPU acceleration.

DOI
10.21468/scipostphyscodeb.35-r1.3

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•Jan 1, 2024•0 citations
Semiconductor quantum dot arrays are a leading architecture for the development of quantum technologies. Over the years, the constant capacitance model has served as a fundamental framework for simulating, understanding, and navigating the charge stability diagrams of small quantum dot arrays. However, while the size of the arrays keeps growing, solving the constant capacitance model becomes computationally prohibitive. This paper presents an open-source software package able to compute a 100 × 100 100 × 100 pixels charge stability diagram of a 16-dot array in less than a second. Smaller arrays can be simulated in milliseconds - faster than they could be measured experimentally, enabling the creation of diverse datasets for training machine learning models and the creation of digital twins that can interface with quantum dot devices in real-time. Our software package implements its core functionalities in the systems programming language Rust and the high-performance numerical computing library JAX. The Rust implementation benefits from advanced optimisations and parallelisation, enabling the users to take full advantage of multi-core processors. The JAX implementation allows for GPU acceleration.
Semiconductor quantum dot arrays are a leading architecture for the development of quantum technologies. Over the years, the constant capacitance model has served as a fundamental framework for simulating, understanding, and navigating the charge stability diagrams of small quantum dot arrays. However, while the size of the arrays keeps growing, solving the constant capacitance model becomes computationally prohibitive. This paper presents an open-source software package able to compute a 100 × 100 100 × 100 pixels charge stability diagram of a 16-dot array in less than a second. Smaller arrays can be simulated in milliseconds - faster than they could be measured experimentally, enabling the creation of diverse datasets for training machine learning models and the creation of digital twins that can interface with quantum dot devices in real-time. Our software package implements its core functionalities in the systems programming language Rust and the high-performance numerical computing library JAX. The Rust implementation benefits from advanced optimisations and parallelisation, enabling the users to take full advantage of multi-core processors. The JAX implementation allows for GPU acceleration.
Semiconductor quantum-dot arrays are a compelling platform for scalable quantum technologies, yet their practical operation is hindered by the complexity of tuning large-scale devices. Existing automation tools rely on simplified physical models---such as constant-capacitance approximations and equilibrium Hubbard models---which assume instantaneous relaxation to a steady state. These frameworks fail in experimentally critical regimes where measurement rates exceed tunneling dynamics, necessitating more sophisticated non-equilibrium control strategies. To bridge this gap, we introduce QArray+, an extension of the QArray framework that incorporates gate-dependent tunnel coupling and a quantum open-system description of dissipative processes. This approach enables the unified simulation of coherent interdot charge-state hybridization and the non-equilibrium latching dynamics essential for training robust machine-learning models for automated device operation. Implemented in JAX with GPU acceleration, QArray+ scales across GPUs and multi-node systems. For example, a charge stability diagram for a 100X100 grid of gate voltages over 64 dots can be computed in ∼0.17 s\sim0.17\,\mathrm{s}∼0.17s on multiple GPUs. Since interdot interactions are short-ranged and the corresponding tuning corrections are local, simulations at these scales capture the physics relevant to even larger devices. These capabilities support high-throughput dataset generation for automated device tuning.
Spins in semiconductor quantum dots offer a scalable approach to quantum computing; however, precise control and efficient readout of large quantum dot arrays remain challenging, mainly due to the hyperdimensional voltage space required for tuning multiple gates per dot. To automate this process, large datasets are required for testing and training autotuning algorithms. To address the demand for such large datasets, we introduce RF-Squad, a physics-based simulator designed to realistically replicate radiofrequency (RF) reflectometry measurements of quantum dot arrays, with the ability to go beyond the Constant Interaction Model (CIM) and simulate physical phenomena such as tunnel coupling, tunnel rates, and quantum confinement. Implemented in JAX, an accelerated linear algebra library, RF-Squad achieves high computational speed, enabling the simulation of a 100x100 pixel charge stability diagram of a double quantum dot (DQD) in 52.1 $\pm$0.2 milliseconds at the CIM level. Using optimization algorithms, combined with it's layered architecture, RF-Squad allows users to balance physical accuracy with computational speed, scaling from simple to highly detailed models.
Self-consistent Schrödinger-Poisson calculations are a powerful tool for predicting the behavior of layered semiconductor quantum dot devices. However, characterization of charge stability diagrams through fully simulated gate-voltage sweeps is computationally expensive. Combining a Multi-Domain Multi-Model (MDMM) approach with an automated tuning routine, we identify gate voltages associated with selected charge configurations. This small set of self-consistent simulations can be augmented with Full Configuration Interaction (FCI) energy calculations to extract charging energies, lever arms, and interdot Coulomb interactions to directly parameterize a Hubbard model for rapid charge stability diagram generation. For an Intel Tunnel Falls Si/SiGe device, we demonstrate the Hubbard model's ability to reproduce charge stability diagrams at a fraction of the computational cost in comparison to voltage bias sweeps. We further compare the simulated diagrams to experimental data and demonstrate qualitative agreement. Our result represents a step towards predictive digital twin models for semiconductor quantum dot devices. Finally, we apply this workflow towards lever arm engineering in a second device, demonstrating that the method extends to multiple architectures.
Spin qubits in quantum dots are a compelling platform for fault-tolerant quantum computing due to the potential to fabricate dense two-dimensional arrays with nearest neighbour couplings, a requirement to implement the surface code. However, due to the proximity of the surface gate electrodes, cross-coupling capacitances can be substantial, making it difficult to control each quantum dot independently. Increasing the number of quantum dots increases the complexity of the calibration process, which becomes impractical to do heuristically. Inspired by recent demonstrations of industrial-grade silicon quantum dot bilinear arrays, we develop a theoretical framework to mitigate the effect of cross-capacitances in 2x2 arrays of quantum dots and extend it to 2xN and NxN arrays. The method is based on extracting the gradients in gate-voltage space of different charge transitions in multiple two-dimensional charge stability diagrams to determine the system's virtual gates. To automate the process, we train an ensemble of regression models to extract the gradients from a Hough transformation of charge stability diagrams and validate the algorithm on simulated and experimental data of a 2x2 quantum dot array. Our method provides a completely automated tool to mitigate cross-capacitance effects in arrays of QDs which could be utilised to study variability in device electrostatics across large arrays.
Semiconducting spin quantum devices present a promising avenue for advancing noisy intermediate-scale quantum (NISQ) computers. However, the complexities involved in their tuning and characterisation currently hinder their scaling. This thesis addresses these challenges by harnessing machine-learning-based approaches. Firstly, I used Gaussian processes to develop a fully automatic tuning algorithm that exclusively used radio-frequency measurements taken on millisecond timescales. Secondly, I employed Bayesian optimisation for charge sensor optimisation and automation. Both algorithms were deployed on depletion mode hole-based Ge/SiGe devices; however, they could easily be applied to other architectures. These automated approaches considerably outperformed manual tuning and represent vital building blocks for algorithms to tune larger quantum dot arrays. Next, I developed algorithms to find the ground state charge configuration in the constant capacitance model, which was orders of magnitude faster than its predecessors, permitting the simulation of much larger arrays of sixteen dots. This open-source package can be used to gain insights into the charge stability diagrams of large quantum dot arrays and facilitates further tuning algorithm development. Lastly, I present a novel application of hidden Markov models to identify and separate the state preparation, measurement and spin-flip errors presented by a pair of hot Loss Divincenzo qubits in a Si-MOS device. This approach not only unravels these error sources but also sheds light on their relationship with various parameters, such as electron temperature, thus contributing a vital understanding to the field of quantum computing.