ABSTRACT The nitrogen‐vacancy (NV) center in diamond is a crucial platform for quantum technologies, where its precise numerical modeling is indispensable for the continued advancement of the field. We present here a Python library for simulating the NV spin dynamics under general experimental conditions, i.e. a digital twin. Our library accounts for electromagnetic pulses and other environmental inputs, which are used to solve the system's time evolution, resulting in a physical output in the form of a quantum observable given by fluorescence. The simulation framework is based on a non‐perturbative time‐dependent Hamiltonian model, where the states initialization and readout are postulated from the interaction with optical fields. By eliminating oversimplifications such as the adoption of rotating frames for the microwave and radio frequency fields, our simulations reveal subtle dynamics emerging from realistic pulse constraints. The software is illustrated with three examples and validated by comparing the simulations with experimental reports, relevant to the fields of quantum computing (conditional logic gates), sensing (dynamical decoupling sequences with coupled spins) and networks (state teleportation). Overall, this digital twin delivers a robust numerical modeling of the NV spin dynamics, with simple and accessible usability, which can be used for a wide range of applications.
ABSTRACT The nitrogen‐vacancy (NV) center in diamond is a crucial platform for quantum technologies, where its precise numerical modeling is indispensable for the continued advancement of the field. We present here a Python library for simulating the NV spin dynamics under general experimental conditions, i.e. a digital twin. Our library accounts for electromagnetic pulses and other environmental inputs, which are used to solve the system's time evolution, resulting in a physical output in the form of a quantum observable given by fluorescence. The simulation framework is based on a non‐perturbative time‐dependent Hamiltonian model, where the states initialization and readout are postulated from the interaction with optical fields. By eliminating oversimplifications such as the adoption of rotating frames for the microwave and radio frequency fields, our simulations reveal subtle dynamics emerging from realistic pulse constraints. The software is illustrated with three examples and validated by comparing the simulations with experimental reports, relevant to the fields of quantum computing (conditional logic gates), sensing (dynamical decoupling sequences with coupled spins) and networks (state teleportation). Overall, this digital twin delivers a robust numerical modeling of the NV spin dynamics, with simple and accessible usability, which can be used for a wide range of applications.
Nitrogen-vacancy (NV) centers in diamond are a solid-state platform for quantum sensing 1 and information processing due to their spin-dependent optical transitions at room temperature 2. Accurate characterization of NV spin dynamics, including hyperfine interactions with nuclear spins, is essential both for optimizing sensing performance and for designing high-fidelity quantum controls. In this work, we use the open-source package/ library Quantum Toolbox in Python (QuTiP) 3, 4 to simulate two readout protocols (continuous-wave ODMR, pulsed ODMR) with and without the hyperfine coupling. By comparing simulated resonance positions and population dynamics against experimental and simulation profiles from the literature, we demonstrate that our QuTiP model reproduces the characteristic profiles present in other works. We analyze the computational cost of including hyperfine terms to the model via execution time averaging and show that built-in parallelization accelerates the no-hyperfine model but provides small returns when the coupling is included. Finally, we illustrate how simulation parameters align with predictions of DC magnetometry 5. We also provide some ideas for extending this framework to GPU-accelerated and/or machine learning assisted parameter estimation and calibration 6, 7. Our soon-to-be open-source code 8 provides a flexible foundation for both quantum sensing characterization and the development of NV-based quantum information protocols.
The study of quantum many-body spin physics in realistic solid-state platforms has been a long-standing goal in quantum and condensed-matter physics. We demonstrate separate steps required to reach this goal using nitrogen-vacancy (NV) centers in diamond. First, standard (TEM) electron irradiation is used for the enhancement of N to NV conversion efficiencies by over an order-of-magnitude. Second, robust pulsed and continuous dynamical decoupling (DD) techniques enable the preservation of arbitrary states of the ensemble. These combined efforts could lead to the desired interaction-dominated regime. Finally, we simulate the effects of continuous and pulsed microwave (MW) control on the resulting NV-NV many body dynamics in a realistic spin-bath environment. We emphasize that dominant interaction sources could be identified and decoupled by the application of proper pulse sequences, and the modification of such sequences could lead to the creation engineered interaction Hamiltonians. Such interaction Hamiltonians could pave the way toward the creation of non-classical states, e.g. spin-squeezed states, which were not yet demonstrated in the solid-state, and could eventually lead to magnetic sensing beyond the standard quantum limit (SQL).
The nitrogen-vacancy (NV) center in diamond is a leading solid-state platform for room-temperature quantum magnetometry owing to its long spin coherence times, optical spin initialization and readout, and high sensitivity to magnetic, electric, and thermal perturbations. As NV-based optically detected magnetic resonance (ODMR) systems transition from controlled laboratory environments toward portable and field-deployable sensors, a detailed understanding of realistic noise sources and experimental imperfections becomes essential for optimizing performance and sensitivity. In this work, we present a comprehensive simulation framework, i.e., a digital twin, for continuous-wave wide-field ODMR in NV-center ensembles. The model is built upon a physically consistent seven-level description of the NV center and incorporates a broad range of experimentally relevant noise and imperfection mechanisms as modular, parameterized components. These include laser and microwave amplitude fluctuations, microwave phase noise, uncertainty in the NV gyromagnetic ratio, spin dephasing, temperature-induced shifts of the ground-state zero-field splitting, surface-induced magnetic field perturbations, and photon shot noise. Power broadening and contrast degradation arising from optical and microwave driving are captured self-consistently through linewidth calculations. Also, the spatial inhomogeneity is modeled via a Gaussian laser intensity profile across the sensing region...
ABSTRACT The negatively charged nitrogen‐vacancy (NV) center in diamond is a leading solid‐state quantum emitter, offering spin‐photon interfaces over a wide temperature range with applications from electromagnetic sensing to bioimaging. While NV centers in bulk diamond are well understood, embedding them in nanodiamond (ND) introduces complexities from size, NV location, and NV polarizations. NVs in ND show altered fluorescence properties, including longer lifetimes, lower quantum efficiency, and higher sensitivity to dielectric surroundings, which arise from radiative suppression, surface‐induced non‐radiative decay, and escape inefficiency at the diamond‐background interface. Prior models typically addressed isolated aspects, such as dielectric contrast or surface quenching, without integrating full quantum‐optical NV behavior with classical electrodynamics. We present a hybrid framework coupling rigorous electromagnetic simulations with a quantum‐optical NV model including phonon sideband dynamics. NV emission is found to depend strongly on ND size, NV position, and surrounding refractive index. Our results explain observations such as shallow NVs in water‐coated ND appearing brighter than deeper ones in air. This integrated model provides a unified framework for realistic NV in ND emission scenarios and informs the design of efficient NV‐based sensors and quantum devices, advancing understanding of quantum emitter photophysics in nanoscale crystals.
This thesis presents the development and application of a digital twin modeling framework for nitrogen-vacancy (NV) center-based magnetometry, advancing the field of quantum sensing. A surrogate model serves as a computational representation of the physical NV magnetometer system, enabling comprehensive exploration of parameter spaces to optimize device design. Leveraging machine learning techniques, this study optimizes control mechanisms, including the design of learned analog filters, to enhance system performance. This research investigates the fundamental limits of NV magnetometer performance, identifying strategies to minimize power requirements while maintaining high sensitivity. A dynamic framework is implemented to update the surrogate model’s parameters in real-time based on experimental measurements, ensuring accurate fidelity to the physical system. Additionally, the optimized control strategies are simulated within the digital twin environment, demonstrating their potential for advanced quantum sensing applications such as magnetocardiography (MCG) for heartbeat detection.
ABSTRACT The negatively charged nitrogen‐vacancy (NV) center in diamond has emerged as a leading qubit platform. One of the key challenges for NV‐based quantum applications is building an accurate model to predict their decoherence properties. In this study, a combination of theory and experiment is used to investigate NV decoherence dynamics in the presence of P1 center baths. A cluster‐correlation expansion method to compute the decoherence under the Hahn‐echo and CPMG pulse sequences at various P1 concentrations from 1 to 300 ppm is employed. Notably, we find that the coherence time ( T 2 ) scales quadratically as a function of the pulse number, on a logarithmic scale, as opposed to the linear scaling predicted by widely accepted semi‐classical theories. In this experiment, the CPMG signal for two diamond samples with high P1 concentrations of 0.8 and 13 ppm is measured. It is demonstrated that the T 2 scaling is indeed quadratic, thus confirming our theoretical predictions. These results show that the quantum bath model combined with the CCE method can accurately capture the quantum nature of the P1‐driven NV decoherence. This study opens a new avenue for developing a complete noise model that can be used to optimize the performance of NV‐based quantum devices.