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The possibility of performing quantum chemical calculations using quantum computers has attracted much interest. In this regard, variational quantum deflation (VQD) is a quantum-classical hybrid algorithm for the calculation of excited…

Chemical Physics · Physics 2022-06-06 Soichi Shirai , Takahiro Horiba , Hirotoshi Hirai

Adiabatic quantum computation (AQC), which is particularly useful for combinatorial optimization, becomes more powerful by using excited states, instead of ground states. However, the excited-state AQC is prone to errors due to dissipation.…

Quantum Physics · Physics 2020-12-22 Hayato Goto , Taro Kanao

The control and manipulation of quantum-entangled non-local states is a crucial step for the development of quantum information processing. A promising route to achieve such states on a wide scale is to couple solid-state quantum emitters…

Optics · Physics 2022-07-06 J. -B Trebbia , Q Deplano , P Tamarat , B Lounis

Quantum annealers of D-Wave Systems, Inc., offer an efficient way to compute high quality solutions of NP-hard problems. This is done by mapping a problem onto the physical qubits of the quantum chip, from which a solution is obtained after…

Quantum Physics · Physics 2022-11-30 Elijah Pelofske , Georg Hahn , Hristo N. Djidjev

Classical computation of electronic properties in large-scale materials remains challenging. Quantum computation has the potential to offer advantages in memory footprint and computational scaling. However, general and practical quantum…

Computational Physics · Physics 2025-10-14 Yiran Bai , Feng Xiong , Xueheng Kuang

The ability of near-term quantum computers to represent classically-intractable quantum states has brought much interest in using such devices for estimating the ground and excited state energies of fermionic Hamiltonians. The usefulness of…

Quantum Physics · Physics 2021-06-10 Maxwell D. Radin , Peter Johnson

The character of an electronically excited state is one of the most important descriptors employed to discuss the photophysics and photochemistry of transition metal complexes. In transition metal complexes, the interaction between the…

Chemical Physics · Physics 2018-02-14 Sebastian Mai , Felix Plasser , Johann Dorn , Maria Fumanal , Chantal Daniel , Leticia González

This chapter gives an introduction to qualitative and quantitative topological analyses of molecular electronic transitions. Among the possibilities for qualitatively describing how the electronic structure of a molecule is reorganized upon…

Chemical Physics · Physics 2018-11-27 Thibaud Etienne

Variational quantum algorithms on bosonic quantum processors are an emerging paradigm for quantum chemistry calculations, exploiting the natural alignment between molecular structure and harmonic oscillator-based hardware. We introduce the…

Quantum Physics · Physics 2026-04-21 Marlon F. Jost , Sijia S. Dong

Quantum devices offer a highly useful function - that is generating random numbers in a non-deterministic way since the measurement of a quantum state is not deterministic. This means that quantum devices can be constructed that generate…

Quantum Physics · Physics 2024-02-13 Elijah Pelofske

Quantum annealing is a heuristic quantum optimization algorithm that can be used to solve combinatorial optimization problems. In recent years, advances in quantum technologies have enabled the development of small- and intermediate-scale…

Quantum Physics · Physics 2022-10-05 Sheir Yarkoni , Elena Raponi , Thomas Bäck , Sebastian Schmitt

Highly excited states of quantum many-body systems are central objects in the study of quantum dynamics and thermalization that challenge classical computational methods due to their volume-law entanglement content. In this work, we explore…

Quantum Physics · Physics 2022-02-17 Feng Zhang , Niladri Gomes , Yongxin Yao , Peter P. Orth , Thomas Iadecola

Quantum computational chemistry has emerged as an important application of quantum computing. Hybrid quantum-classical computing methods, such as variational quantum eigensolvers (VQE), have been designed as promising solutions to quantum…

The most advanced D-Wave Advantage quantum annealer has 5000+ qubits, however, every qubit is connected to a small number of neighbors. As such, implementation of a fully-connected graph results in an order of magnitude reduction in qubit…

A quantum computing algorithm is proposed to obtain low-lying excited states in many-body interacting systems. The approximate eigenstates are obtained by using a quantum space diagonalization method in a subspace of states selected from…

Quantum Physics · Physics 2025-06-30 Jing Zhang , Denis Lacroix

A recent experiment [Lanting et al., PRX, (2014)] claimed to provide evidence of up to $8$-qubit entanglement in a D-Wave quantum annealing device. However, entanglement was measured using qubit tunneling spectroscopy, a technique that…

Quantum Physics · Physics 2015-12-17 Tameem Albash , Itay Hen , Federico M. Spedalieri , Daniel A. Lidar

The Hubbard model has occupied the minds of condensed matter physicists for most part of the last century. This model provides insight into a range of phenomena in correlated electron systems. We wish to examine the paradigm of quantum…

Quantum Physics · Physics 2026-05-12 Kunal Vyas , Fengping Jin , Hans De Raedt , Kristel Michielsen

We investigate several aspects of realizing quantum computation using entangled polar molecules in pendular states. Quantum algorithms typically start from a product state |00...0> and we show that up to a negligible error, the ground…

Quantum Physics · Physics 2016-07-19 Qi Wei , Yudong Cao , Sabre Kais , Bretislav Friedrich , Dudley Herschbach

Quantum technology is maturing to the point where quantum devices, such as quantum communication systems, quantum random number generators and quantum simulators, may be built with capabilities exceeding classical computers. A quantum…

Entanglement lies at the core of quantum algorithms designed to solve problems that are intractable by classical approaches. One such algorithm, quantum annealing (QA), provides a promising path to a practical quantum processor. We have…

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