Themed collection Quantum computing and quantum information storage: Celebrating the 2022 Nobel Prize in Physics

Nanowire-based spintronics presents new opportunities and challenges in understanding the intimate couplings between charge, spin, orbital and lattice.

Quantum variants of machine learning algorithms are discussed with emphasis on methodology, learning techniques and applications in broad and distinct domains of chemical physics.

Quantum algorithms for electronic structure calculations are reviewed with a special focus on basis sets and boundary conditions.

At nearly absolute zero temperature, molecular reactions and collisions are completely governed by quantum mechanics and can be exquisitely controlled by external fields.

This review presents a comprehensive overview of the Unitary Coupled Cluster (UCC) ansatz and related ansätze which are used to solve the electronic structure problem on quantum computers.

VOPc maintains an “oxygen-up” orientation and its spin on graphene is S = 1/2: this is an interesting system for qubit applications.

Single electron transport is demonstrated in high-quality MBE-grown InSb nanowire single quantum dots with a dot length up to ∼700 nm.

The design and construction of the first prototypical QHC (Quantum Hamiltonian Computing) atomic scale Boolean logic gate is reported using scanning tunnelling microscope (STM) tip-induced atom manipulation on an Si(001):H surface.

By a combined theoretical and broadband nuclear magnetic resonance study, we show that [VOTPP] is a coupled electronic qubit-nuclear qudit system suitable to implement qudit-based quantum error correction and quantum simulation algorithms.

Dynamics governing ultrafast chemical reactions can be efficiently simulated using analog quantum simulators composed of a coupled system of qudits and bosonic modes.

‘Alchemical’ quantum algorithm for the simultaneous optimisation of chemical composition and electronic structure for material design. By exploiting quantum mechanical principles this approach will boost drug discovery in the near future.

We develop computationally affordable and encoding independent gradient evaluation procedures for unitary coupled-cluster type operators, applicable on quantum computers.

The coherent control dynamics of interacting electron–phonon and qubit–spin systems is numerically studied. The time-evolution of the quantum many-body states is revealed from a viewpoint of quantum entanglement.

A class of large-gap 2D TIs (K₂NaBi and Rb₂NaBi monolayers) by exfoliating Na₃Bi-like three-dimensional Dirac semimetals.

We demonstrated that a lightly boron-doped multi-channel silicon nanowire transistor could exhibit the gate-modulated transition of bias-dependent zero-dimensional and one-dimensional hole transport characteristics.

Whereas bulk Tb₂@C₇₉N is a single-molecule magnet with broad hysteresis, its monolayers on different substrates show the prevalence of a non-magnetic ground state near zero magnetic field and a metamagnetic transition with the field increase.

The present calculations reveal the effects of intersystem crossings and spin–orbit couplings on laser cooling of the group VA hydrides, with an empirical law of “crossing point shifting down” down a group in the periodic table generalized.

Cat state entropies for n = 2, 5, 10, and 15 qubits, as functions of qubit accuracies a and b.

Traditional quantum chemistry is based on separability by particle. Here, we explore a radically different approach, based on separability by Cartesian component.

The transistor exhibits a controllable adjustment of synaptic behavior while maintaining each memory state, which describes the ability of integration memory with neuromorphic computing.

The theory of open quantum systems (OQSs) is applied to partition the squared spin operator into fragment (local spin) and interfragment (spin-coupling) contributions in a molecular system.

Linear combination S of spin-projection correlation functions in the Clauser–Horne–Shimony–Holt inequality, from runs on an IBM quantum computer, after error mitigation. Values of S > 2 rule out local hidden-variable theories.

The magnetic properties of mononuclear Yb^III complexes have been explored by using multiconfigurational CASPT2/RASSI calculations.

Rotations of MgF molecules can be entangled via strong dipole–dipole interactions when trapped in optical tweezers with a magic polarization angle.

Quantum logic operations and electron spin controls in a Si double quantum dot platform is studied with a multi-scale modeling approach that can open the pathway to explore engineering details for Si-based designs of robust quantum logic gates.

Quantum information processors are proposed, based on optical cycling centers trapped attached to a surface.

The interplay of external fields and internal structure of two interacting ultracold trapped molecules produces rich magnetization diagrams and nonequilibrium dynamics.

We explore coherent multi-photon processes in ⁸⁷Rb¹³³Cs molecules using 3-level lambda and ladder configurations of rotational and hyperfine states, and discuss their relevance to future applications in quantum computation and quantum simulation.

As expected from experiment, the [Mn₃O(O₂CMe)dpd_3/2]₂ dimer exists in an S = 12 ferromagnetic state. However the monomeric building blocks regardless of termination, are found in antiferromagnetic state with unusual local moments (S = 1).

Interactions that dominate carbon-vacancy interchange were modeled on a quantum annealer. The method exploits the ground state and the excited states to extract the possible arrangements of vacancies in graphene and their relative formation energies.

The Quantum Annealer Eigensolver (QAE) is applied to the calculation of quantum scattering resonances and their lifetimes on a D-Wave quantum annealer.

Mechanisms including two types of Raman laser coupling (Ω₁ & Ω₂) and rf field coupling (Ω_rf) are applied to drive transitions between different hyperfine spin states. We investigated the entanglement between the spin and momentum degrees of freedom.

We introduce a quantum algorithm for simulating molecular vibrational excitations during vibronic transitions. The algorithm is used to simulate vibrational excitations of pyrrole and butane during photochemical and mechanochemical excitations.

Using a recently developed quantum embedding theory, we present first principles calculations of strongly correlated states of spin defects in diamond.

We outline a path towards universal quantum computation using the dipole–phonon interaction of polar molecular ions in an ion trap.

Molecular quantum computing simulations are currently limited by the use of minimal Gaussian bases, a problem we overcome using a canonical transcorrelated Hamiltonian to accelerate basis convergence, with unitary coupled cluster as an example.

We present minimal depth circuits implementing the variational quantum eigensolver algorithm and successfully use it to compute the band structure of silicon on a quantum machine for the first time.

Herein, newly emerged copper–cysteamine (Cu–Cy) nanosheets with red fluorescence and a good stability were explored as a new type of probe for Fe³⁺ and dopamine detection.

Optical cycling, a continuous photon scattering off atoms or molecules, is the key tool in quantum information science.

Spin-dependent transport properties and light modulation of Fe₄N/C₆₀/Fe₄N and LSMO/C₆₀/Fe₄N single molecule magnetic tunnel junctions.

We show the possibility to generate photons in a certain class of non-classical states from a metal–dielectric interface using dipole emitters on the interface.

We present enhanced Förster resonance energy transfer and prolonged efficient quantum entanglement between optical qubits separated by long-range distances mediated by epsilon-near-zero plasmonic waveguides.

Optomagnetic plasmonic nanocircuitry for directing and processing the readout of electron spins of nitrogen vacancy centres in nanodiamonds.

The assembly of quantum nanophotonic systems with plasmonic resonators is important for fundamental studies of single photon sources as well as for on-chip information processing.

The tunable orbit angular momentum (OAM) of surface plasmon polaritons (SPPs) is theoretically studied with appropriately designed metasurfaces.

Utilizing the S = 7/2 4f spin and the D₄ symmetry of a Gd(III) complex, we propose and demonstrate an eight-leveled rare-earth molecular qudit, which can be coherently manipulated between adjacent energy levels with precompiled pulse durations.