Simulating optically-active spin defects with a quantum computer
Fuente:
arXiv
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| Autores principales: | , , , , , , , |
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| Formato: | Preprint |
| Publicado: |
2024
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| Materias: | |
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| _version_ | 1866911196243820544 |
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| author | Baker, Jack S. Casares, Pablo A. M. Zini, Modjtaba Shokrian Thik, Jaydeep Banerjee, Debasish Ling, Chen Delgado, Alain Arrazola, Juan Miguel |
| author_facet | Baker, Jack S. Casares, Pablo A. M. Zini, Modjtaba Shokrian Thik, Jaydeep Banerjee, Debasish Ling, Chen Delgado, Alain Arrazola, Juan Miguel |
| contents | There is a pressing need for more accurate computational simulations of the opto-electronic properties of defects in materials to aid in the development of quantum sensing platforms. In this work, we explore how quantum computers could be effectively utilized for this purpose. Specifically, we develop fault-tolerant quantum algorithms to simulate optically active defect states and their radiative emission rates. We employ quantum defect embedding theory to translate the Hamiltonian of a defect-containing supercell into a smaller, effective Hamiltonian that accounts for dielectric screening effects. Our approach integrates block-encoding of the dipole operator with quantum phase estimation to selectively sample the optically active excited states that exhibit the largest dipole transition amplitudes. We also provide estimates of the quantum resources required to simulate a negatively-charged boron vacancy in a hexagonal boron nitride cluster. We conclude by offering a forward-looking perspective on the potential of quantum computers to enhance quantum sensor capabilities and identify specific scenarios where quantum computing can resolve problems traditionally challenging for classical computers. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2405_13115 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Simulating optically-active spin defects with a quantum computer Baker, Jack S. Casares, Pablo A. M. Zini, Modjtaba Shokrian Thik, Jaydeep Banerjee, Debasish Ling, Chen Delgado, Alain Arrazola, Juan Miguel Quantum Physics Materials Science There is a pressing need for more accurate computational simulations of the opto-electronic properties of defects in materials to aid in the development of quantum sensing platforms. In this work, we explore how quantum computers could be effectively utilized for this purpose. Specifically, we develop fault-tolerant quantum algorithms to simulate optically active defect states and their radiative emission rates. We employ quantum defect embedding theory to translate the Hamiltonian of a defect-containing supercell into a smaller, effective Hamiltonian that accounts for dielectric screening effects. Our approach integrates block-encoding of the dipole operator with quantum phase estimation to selectively sample the optically active excited states that exhibit the largest dipole transition amplitudes. We also provide estimates of the quantum resources required to simulate a negatively-charged boron vacancy in a hexagonal boron nitride cluster. We conclude by offering a forward-looking perspective on the potential of quantum computers to enhance quantum sensor capabilities and identify specific scenarios where quantum computing can resolve problems traditionally challenging for classical computers. |
| title | Simulating optically-active spin defects with a quantum computer |
| topic | Quantum Physics Materials Science |
| url | https://arxiv.org/abs/2405.13115 |