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We present a quantum-classical hybrid algorithm that simulates electronic structures of periodic systems such as ground states and quasiparticle band structures. By extending the unitary coupled cluster (UCC) theory to describe crystals in…
The iterative quantum phase estimation algorithm, applied to calculating the ground state energies of quantum chemical systems, is theoretically appealing in its wide scope of being able to handle both weakly and strongly correlated…
Determining low-energy eigenstates in electronic many-body quantum systems is a key challenge in computational chemistry and condensed-matter physics. Hybrid quantum-classical approaches, such as the Variational Quantum Eigensolver and…
Quantum chemistry has been viewed as one of the potential early applications of quantum computing. Two techniques have been proposed for electronic structure calculations: (i) the variational quantum eigensolver and (ii) the…
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…
Accurate exchange-correlation (XC) potentials are essential for density functional theory, yet reliable approximations remain challenging for strongly correlated systems. In this work, we present a quantum algorithmic framework to determine…
Generalized quantum impurity models -- which feature a few localized and strongly-correlated degrees of freedom coupled to itinerant conduction electrons -- describe diverse physical systems, from magnetic moments in metals to…
Strongly correlated quantum impurity problems appear in a wide variety of contexts ranging from nanoscience and surface physics to material science and the theory of strongly correlated lattice models, where they appear as auxiliary systems…
Recent advancements in quantum information and quantum technology has stimulated a good deal of interest in the development of quantum algorithms for energetics and properties of many-fermionic systems. While the variational quantum…
We investigate the ground-state properties of the Anderson single impurity model (finite Coulomb impurity repulsion) with the Coupled Cluster Method. We consider different CCM reference states and approximation schemes and make comparison…
This paper proposes a hybrid quantum-classical algorithm that learns a suitable quantum feature map that separates unlabelled data that is originally non linearly separable in the classical space using a Variational quantum feature map and…
This study introduces a novel minimalistic variational quantum ansatz inspired by algorithmic cooling principles. The proposed Heat Exchange algorithmic cooling ansatz (HE ansatz) facilitates efficient population redistribution without…
We present a cascaded variational quantum eigensolver algorithm that only requires the execution of a set of quantum circuits once rather than at every iteration during the parameter optimization process, thereby increasing the…
We propose a variational scheme to represent composite quantum systems using multiple parameterized functions of varying accuracies on both classical and quantum hardware. The approach follows the variational principle over the entire…
Quantum computing has brought a paradigm change in computer science, where non-classical technologies have promised to outperform their classical counterpart. Such an advantage was only demonstrated for tasks without practical applications,…
We present a hybrid classical/quantum algorithm for efficiently solving the eigenvalue problem of many-particle Hamiltonians on quantum computers with limited resources by splitting the workload between classical and quantum processors.…
We present a new approach to calculate real-time quantum dynamics in complex systems. The formalism is based on the partitioning of a system's environment into "core" and "reservoir" modes, with the former to be treated quantum mechanically…
Quantum machine learning is considered one of the flagship applications of quantum computers, where variational quantum circuits could be the leading paradigm both in the near-term quantum devices and the early fault-tolerant quantum…
Variational quantum algorithms are promising applications of noisy intermediate-scale quantum (NISQ) computers. These algorithms consist of a number of separate prepare-and-measure experiments that estimate terms in a Hamiltonian. The…
Quantum computing holds the potential to revolutionize various fields by efficiently tackling complex problems. At its core are quantum circuits, sequences of quantum gates manipulating quantum states. The selection of the right quantum…