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Recent works have shown that quantum computers can polynomially speed up certain SAT-solving algorithms even when the number of available qubits is significantly smaller than the number of variables. Here we generalise this approach. We…
Accurately computing the free energies of biological processes is a cornerstone of computer-aided drug design but it is a daunting task. The need to sample vast conformational spaces and account for entropic contributions makes the…
The problem of estimating the frequency of a two-level atom in a noisy environment is studied. Our interest is to minimise both the energetic cost of the protocol and the statistical uncertainty of the estimate. In particular, we prepare a…
Entanglement plays a crucial role in quantum physics and is the key resource in quantum information processing. However, entanglement detection and quantification are believed to be hard due to the operational impracticality of existing…
Quantum machine learning has the potential to provide powerful algorithms for artificial intelligence. The pursuit of quantum advantage in quantum machine learning is an active area of research. For current noisy, intermediate-scale quantum…
Recently, it is shown that quantum computers can be used for obtaining certain information about the solution of a linear system Ax=b exponentially faster than what is possible with classical computation. Here we first review some key…
Variational quantum algorithms exploit the features of superposition and entanglement to optimize a cost function efficiently by manipulating the quantum states. They are suitable for noisy intermediate-scale quantum (NISQ) computers that…
Atomic systems, ranging from trapped ions to ultracold and Rydberg atoms, offer unprecedented control over both internal and external degrees of freedom at the single-particle level. They are considered among the foremost candidates for…
The Coupled Cluster (CC) method is used to compute the electronic correlation energy in atoms and molecules and often leads to highly accurate results. However, due to its single-reference nature, standard CC in its projected form fails to…
With the advent of exascale computing, effective load balancing in massively parallel software applications is critically important for leveraging the full potential of high performance computing systems. Load balancing is the distribution…
Solving the electronic Schrodinger equation for strongly correlated ground states is a long-standing challenge. We present quantum algorithms for the variational optimization of wavefunctions correlated by products of unitary operators,…
Scattering probes the internal structure of quantum systems. We calculate the two-particle elastic scattering phase shift for a short-ranged interaction on a quantum computer. Short-ranged interactions with a large scattering length or…
A central challenge in quantum computing is to identify more computational problems for which utilization of quantum resources can offer significant speedup. Here, we propose a hybrid quantum-classical scheme to tackle the quantum optimal…
Quantum cooling, a deterministic process that drives any state to the lowest eigenstate, has been widely used from studying ground state properties of chemistry and condensed matter quantum physics, to general optimization problems.…
Systems of linear equations are used to model a wide array of problems in all fields of science and engineering. Recently, it has been shown that quantum computers could solve linear systems exponentially faster than classical computers,…
In computational molecular science, calculation of electrostatic interactions involving charged atoms - the strongest interactions in condensed phases, is a major bottleneck. We propose a quantum-classical algorithm for fast, yet, accurate…
We propose a quantum-classical hybrid algorithm to encode a given arbitrarily quantum state $\vert \Psi \rangle$ onto an optimal quantum circuit $\hat{\mathcal{C}}$ with a finite number of single- and two-qubit quantum gates. The proposed…
Quantum computers are known to provide an exponential advantage over classical computers for the solution of linear differential equations in high-dimensional spaces. Here, we present a quantum algorithm for the solution of nonlinear…
We propose a quantum computation architecture of double-dot molecules, where the qubit is encoded in the molecule two-electron spin states. By arranging the two dots inside each molecule perpendicular to the qubit scaling line, the…
Quantum Bit String Comparators (QBSC) operate on two sequences of n-qubits, enabling the determination of their relationships, such as equality, greater than, or less than. This is analogous to the way conditional statements are used in…