Related papers: Quantum-Inspired Ising Machines for Quantum Chemis…
Quantum computers promise to enhance machine learning for practical applications. Quantum machine learning for real-world data has to handle extensive amounts of high-dimensional data. However, conventional methods for measuring quantum…
A bit-quantum map relates probabilistic information for Ising spins or classical bits to quantum spins or qubits. Quantum systems are subsystems of classical statistical systems. The Ising spins can represent macroscopic two-level…
The phase estimation algorithm is a powerful quantum algorithm with applications in cryptography, number theory, and simulation of quantum systems. We use this algorithm to simulate the time evolution of a system of two spin-1/2 particles…
We present an efficient quantum algorithm for beyond-Born-Oppenheimer molecular energy computations. Our approach combines the quantum full configuration interaction method with the nuclear orbital plus molecular orbital (NOMO) method. We…
The coherent Ising machine (CIM) enables efficient sampling of low-lying energy states of the Ising Hamiltonian with all-to-all connectivity by encoding the spins in the amplitudes of pulsed modes in an optical parametric oscillator (OPO).…
A promising paradigm of quantum computing for achieving practical quantum advantages is quantum annealing or quantum approximate optimization algorithm, where the classical problems are encoded in Ising interactions. However, it is…
Quantum computing is a winsome field that concerns with the behaviour and nature of energy at the quantum level to improve the efficiency of computations. In recent years, quantum computation is receiving much attention for its capability…
Quantum computing has the potential to solve many computational problems exponentially faster than classical computers. The high shares of renewables and the wide deployment of converter-interfaced resources require new tools that shall…
Quantum simulation is a potentially powerful application of quantum computing, holding the promise to be able to emulate interesting quantum systems beyond the reach of classical computing methods. Despite such promising applications, and…
Finding optimal pathways in chemical reaction networks is essential for elucidating and designing chemical processes, with significant applications such as synthesis planning and metabolic pathway analysis. Such a chemical pathway-finding…
Presented here is an algorithm for a type-II quantum computer which simulates the Ising model in one and two dimensions. It is equivalent to the Metropolis Monte-Carlo method and takes advantage of quantum superposition for random number…
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…
Accurately predicting response properties of molecules such as the dynamic polarizability and hyperpolarizability using quantum mechanics has been a long-standing challenge with widespread applications in material and drug design. Classical…
A flagship application of quantum computers is the simulation of other quantum systems, including quantum field theories. In this article, we show how quantum computers can be employed to naturally calculate Feynman diagrams and their…
In structure-based virtual screening, it is often necessary to evaluate the binding free energy of protein-ligand complexes by considering not only molecular conformations but also how these structures shift and rotate in space. The number…
Significant progress in the development of efficient and fast algorithms for quantum chemical calculations has been made in the past two decades. The main focus has always been the desire to be able to treat ever larger molecules or…
Quantum simulators, machines that can replicate the dynamics of quantum systems, are being built as useful devices and are seen as a stepping stone to universal quantum computers. A key difference between the two is that computers have the…
As quantum processors grow in scale and reliability, the need for efficient quantum gate decomposition of circuits to a set of specific available gates, becomes ever more critical. The decomposition of a particular algorithm into a sequence…
Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable the determinations of the ground or low energy states of…
Quantum computing promises to revolutionize several scientific and technological domains through fundamentally new ways of processing information. Among its most compelling applications is digital quantum simulation, where quantum computers…