Modeling and simulation of qubit registers from chains of NV centers on dislocations in diamond

Completed research project

The SiQuRe joint project used quantum physics models and simulation calculations to investigate the extent to which color centers in diamond crystals that can be addressed as qubits can be arranged regularly in large numbers and used as qubit registers for the construction of quantum computers.

Project description

IBM quantum computers use superconductor-based circuits as elementary qubits. Shielding these as effectively as possible against external interference requires considerable technological effort. For example, the quantum processor chip is cooled to temperatures close to absolute zero and shielded against electric and magnetic fields. An alternative approach to realizing qubits, which is still in its infancy, involves the use of certain isolated crystal defects in solids. The most promising candidate for this is the nitrogen vacancy center (NV center) in diamond crystals, which maintains its quantum properties for an astonishingly long time, even at room temperature.

In the joint project “Modeling and Simulation of Qubit Registers from Chains of NV Centers on Dislocations in Diamond” (SiQuRe), concepts for solid-state/diamond-based qubit registers were developed using models and simulations. Using models and computer simulation methods from theoretical quantum physics, the research project addressed the question of the extent to which NV centers in diamond that can be addressed as qubits are arranged periodically along linear structural defects and can be used for the construction of future quantum computers. Major progress was made in the area of error management based on the VQE (Quantum Proprietary Solver) and VQD (Variational Quantum Deflation) algorithms.

In the future, the project aims to answer the question of which quantum properties essential for quantum computing can be achieved to what degree under control, based on real materials properties, at which register size, and what requirements this places on diamond NV-based quantum computing hardware.

Follow-up project: SiQuRe II – Modeling and simulation of NV-based qubit registers (SiQuRe II – Fraunhofer IAF)

Fraunhofer IWM subproject:

  • Atomistic modeling of qubit arrays, modeling of NV centers and their microscopic interactions with crystal structure defects, calculation of phenomenologically essential energy and coupling parameters
  • Implementation of phenomenological solid-state physics-inspired models on IBM quantum computers, evaluation of algorithms and error mitigation techniques

Transfer of project results to the following Fraunhofer IWM R&D services for companies:

  • Atomistic calculation and evaluation of the influence of atomic crystal defects on materials properties
  • Evaluation of the potential use of quantum computing hardware for materials simulation

Funding information