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We report the first simulations of the dynamics of quantum logic operations with a large number of qubits (up to 1000). A nuclear spin chain in which selective excitations of spins is provided by the gradient of the external magnetic field…
Structure-based virtual screening must address a combinatorial explosion arising from up to 10^60 drug-like molecules, multiple conformations of proteins and ligands, and all possible spatial translations and rotations of ligands within the…
Qubits based on ions trapped in linear radio-frequency traps form a successful platform for quantum computing, due to their high fidelity of operations, all-to-all connectivity and degree of local control. In principle there is no…
Electrostatically defined quantum dot arrays offer a compelling platform for quantum computation and simulation. However, tuning up such arrays with existing techniques becomes impractical when going beyond a handful of quantum dots. Here,…
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…
Quasi-static transport measurements are employed to characterize a few electron quantum dot electrostatically defined in a GaAs/AlGaAs heterostructure. The gate geometry allows observations on one and the same electron droplet within a wide…
Quantum computers have the potential to advance material design and drug discovery by performing costly electronic structure calculations. A critical aspect of this application requires optimizing the limited resources of the quantum…
The spectral properties of up to four interacting electrons confined within a quasi one--dimensional system of finite length are determined by numerical diagonalization including the spin degree of freedom. The ground state energy is…
The electronic properties of semiconductor, vertical, double quantum dot systems with few electrons are investigated by means of analytic, configuration-interaction, and mean-field methods. The combined effect of a high magnetic field,…
Quantum computers have emerged as a promising platform to simulate the strong electron correlation that is crucial to catalysis and photochemistry. However, owing to the choice of a trial wave function employed in the popular hybrid…
Interacting spin systems in solids underpin a wide range of quantum technologies, from quantum sensors and single-photon sources to spin-defect-based quantum registers and processors. We develop a quantum-computer-aided framework for…
QuantumATK is an integrated set of atomic-scale modelling tools developed since 2003 by professional software engineers in collaboration with academic researchers. While different aspects and individual modules of the platform have been…
The computational power and fault-tolerance of future large-scale quantum processors derive in large part from the connectivity between the qubits. One approach to increase connectivity is to engineer qubit-qubit interactions at a distance.…
Using electrostatic gates to control the electron positions, we present a new controlled-NOT gate based on quantum dots. The qubit states are chosen to be the spin states of an excess conductor electron in the quantum dot; and the main…
A quantum computer based on an asymmetric coupled dot system has been proposed and shown to operate as the controlled-NOT-gate. The basic idea is (1) the electron is localized in one of the asymmetric coupled dots. (2)The electron transfer…
Coherent coupling between distant qubits is needed for any scalable quantum computing scheme. In quantum dot systems, one proposal for long-distance coupling is to coherently transfer electron spins across a chip in a moving potential.…
We show that two electrons confined in a square semiconductor quantum dot have two isolated low-lying energy eigenstates, which have the potential to form the basis of scalable computing elements (qubits). Initialisation, one-qubit and…
We review our recently developed electronic structure calculation methods used for the dynamics of large-scale solids or liquids with an efficient algorithm for large scale simultaneous linear equations. The electronic structure calculation…
Velleytronics as a new electronic conception is an emerging exciting research field with wide potential applications, which is attracting great research interests for their extraordinary properties. The localized electronic spins by optical…
We present a model for quantum computation using n steady 3-level atoms or 3-level quantum dots, kept inside a quantum electro-dynamics (QED) cavity. Our model allows one-qubit operations and the two-qubit controlled-NOT gate as required…