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Related papers: Quantum Simulation of Helium Hydride in a Solid-St…

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Detecting and controlling nuclear spin nano-ensembles is crucial for the further development of nuclear magnetic resonance (NMR) spectroscopy and for the emerging solid state quantum technology. Here we present the fabrication of a…

We investigate the performance and accuracy of digital quantum algorithms for the study of static and dynamic properties of the fermionic Hubbard model at half-filling with next-nearest neighbour hopping terms. We provide quantum circuits…

The negatively charged nitrogen-vacancy (NV) center is one of the most significant and widely studied defects in diamond that plays a prominent role in quantum technologies. The precise engineering of the location and concentration of NV…

Materials Science · Physics 2025-03-11 Nima Ghafari Cherati , Anton Pershin , Ádám Gali

Quantum computing is being extensively used in quantum chemistry, especially in simulating simple molecules and evaluating properties like the ground state energy, dipole moment, etc. The transformation of a molecular Hamiltonian from the…

Quantum Physics · Physics 2024-01-18 Harshdeep Singh , Sabyashachi Mishra , Sonjoy Majumder

The excited electronic states involved in the optical cycle preparation of a pure spin state of the negatively charged NV-defect in diamond are calculated using the HSE06 hybrid density functional and variational optimization of the…

Materials Science · Physics 2025-10-29 Lei Sun , Elvar Örn Jónsson , Aleksei Ivanov , Ji Chen , Hannes Jónsson

Quantum simulation promises to be one of the primary application of quantum computers, should one be constructed. This article briefly summarizes the history quantum simulation in light of the recent result of Wang and coworkers…

Quantum Physics · Physics 2015-09-08 Richard P. Muller , Robin Blume-Kohout

Measuring the photoluminescence of defects in crystals is a common experimental technique for analysis and identification. However, current theoretical simulations typically require the simulation of a large number of atoms to eliminate…

Mesoscale and Nanoscale Physics · Physics 2021-02-03 Akib Karim , Igor Lyskov , Salvy P. Russo , Alberto Peruzzo

Scattering experiments with energetic particles, such as free electrons, have been historically used to reveal the quantum structure of matter. However, realizing coherent interactions between free-electron beams and solid-state quantum…

Energy spectroscopy is a powerful tool with diverse applications across various disciplines. The advent of programmable digital quantum simulators opens new possibilities for conducting spectroscopy on various models using a single device.…

Experimental realization of a universal set of quantum logic gates with high-fidelity is critical to quantum information processing, which is always challenging by inevitable interaction between the quantum system and environment. Geometric…

Characterization of the molecular properties of surfaces under ambient or chemically reactive conditions is a fundamental scientific challenge. Moreover, many traditional analytical techniques used for probing surfaces often lack dynamic or…

The quantum circuit model is the de-facto way of designing quantum algorithms. Yet any level of abstraction away from the underlying hardware incurs overhead. In the era of near-term, noisy, intermediate-scale quantum (NISQ) hardware with…

Quantum Physics · Physics 2021-08-27 Laura Clinton , Johannes Bausch , Toby Cubitt

Certain point defects in solids can efficiently be used as qubits for applications in quantum technology. They have spin states that are initializable, readable, robust, and can be manipulated optically. New theoretical methods are needed…

Computational Physics · Physics 2023-09-20 Kristoffer Simula , Ilja Makkonen

Point defects in semiconductors are becoming central to quantum technologies. They can be used as spin qubits interfacing with photons, which are fundamental for building quantum networks. Currently, the most prominent quantum defect in…

Materials Science · Physics 2025-04-17 Yihuang Xiong , Yizhi Zhu , Shay McBride , Sinéad M. Griffin , Geoffroy Hautier

The performance of solid-state quantum sensors based on electronic spin defects is often limited by the presence of environmental spin impurities that cause decoherence. A promising approach to improve these quantum sensors is to convert…

Quantum Physics · Physics 2019-10-30 Alexandre Cooper , Won Kyu Calvin Sun , Jean-Christophe Jaskula , Paola Cappellaro

Nuclear magnetic resonance (NMR) spectroscopy provides unparalleled access to molecular structure and dynamics but is traditionally limited by weak signal strength, requiring large sample volumes and high magnetic fields. Here, we…

Applied Physics · Physics 2026-04-29 Dileep Singh , Riley W. Hooper , Christoph Findler , Utsab Banerjee , Dominik B. Bucher

While quantum computing algorithms have been widely applied for electronic structure calculations, applications to molecular dynamics remain scarce. Complex and varied landscapes of molecular potential energy surfaces give rise to…

Quantum Physics · Physics 2026-04-02 K. Asnaashari , D. Bondarenko , R. V. Krems

The preparation of quantum states using short quantum circuits is one of the most promising near-term applications of small quantum computers, especially if the circuit is short enough and the fidelity of gates high enough that it can be…

Quantum Physics · Physics 2015-10-07 D. Wecker , M. B. Hastings , M. Troyer

Diamond is a solid-state platform to develop quantum technologies, but it has been a long-standing problem that the current understanding of quantum states in diamond is mostly limited to single-electron pictures. Here, we combine the full…

Chemical Physics · Physics 2023-07-19 Yilin Chen , Tonghuan Jiang , Haoxiang Chen , Erxun Han , Ali Alavi , Kuang Yu , En-Ge Wang , Ji Chen

Quantum chemistry and materials science are among the most promising areas for demonstrating algorithmic quantum advantage and quantum utility due to their inherent quantum mechanical nature. Still, large-scale simulations of quantum…

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