相关论文: Quantum chemistry on quantum annealers
Isomer search or molecule enumeration refers to the problem of finding all the isomers for a given molecule. Many classical search methods have been developed in order to tackle this problem. However, the availability of quantum computing…
Quantum computers hold promise to circumvent the limitations of conventional computing for difficult molecular problems. However, the accumulation of quantum logic errors on real devices represents a major challenge, particularly in the…
Current quantum annealing experiments often suffer from restrictions in connectivity in the sense that only certain qubits can be coupled to each other. The most common strategy to overcome connectivity restrictions so far is by combining…
Quantum Chemistry (QC) is one of the most promising applications of Quantum Computing. However, present quantum processing units (QPUs) are still subject to large errors. Therefore, noisy intermediate-scale quantum (NISQ) hardware is…
Current quantum computers are limited in the number of qubits and coherence time, constraining the algorithms executable with sufficient fidelity. The variational quantum eigensolver (VQE) is an algorithm to find an approximate ground state…
The recent availability of the first commercial quantum computers has provided a promising tool to tackle NP hard problems which can only be solved heuristically with present techniques. However, it is unclear if the current state of…
Differential equations are ubiquitous in models of physical phenomena. Applications like steady-state analysis of heat flow and deflection in elastic bars often admit to a second order differential equation. In this paper, we discuss the…
Quantum annealers can be used to solve many (possibly NP-hard) combinatorial optimization problems, by formulating them as quadratic unconstrained binary optimization (QUBO) problems or, equivalently, using the Ising formulation. In this…
Quantum processing units (QPUs) executing annealing algorithms have shown promise in optimization and simulation applications. Hybrid algorithms are a natural bridge to additional applications of larger scale. We present a straightforward…
Quantum algorithm design usually assumes access to a perfect quantum computer with ideal properties like full connectivity, noise-freedom and arbitrarily long coherence time. In Noisy Intermediate-Scale Quantum (NISQ) devices, however, the…
Quantum chemical calculations on quantum computers have been focused mostly on simulating molecules in gas-phase. Molecules in liquid solution are however most relevant for Chemistry. Continuum solvation models represent a good compromise…
Quantum computation is one of the most promising new paradigms for the simulation of physical systems composed of electrons and atomic nuclei, with applications in chemistry, solid-state physics, materials science, and molecular biology.…
Quantum computers show potential for achieving computational advantage over classical computers, with many candidate applications in combinatorial optimisation. We present an application level benchmarking framework for near-term quantum…
Quantum annealing is a promising method for solving combinational optimization problems and performing quantum chemical calculations. The main sources of errors in quantum annealing are the effects of decoherence and non-adiabatic…
Here we explore which heuristic quantum algorithms for combinatorial optimization might be most practical to try out on a small fault-tolerant quantum computer. We compile circuits for several variants of quantum accelerated simulated…
Simulating chemical systems on quantum computers has been limited to a few electrons in a minimal basis. We demonstrate experimentally that the virtual quantum subspace expansion [Phys. Rev. X 10, 011004 (2020)] can achieve full basis…
Development of quantum architectures during the last decade has inspired hybrid classical-quantum algorithms in physics and quantum chemistry that promise simulations of fermionic systems beyond the capability of modern classical computers,…
We demonstrate the feasibility of quantum computing for large-scale, realistic chemical systems through the development of a new interface using a quantum circuit simulator and CP2K, a highly efficient first-principles calculation software.…
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…
As the building block in symmetric cryptography, designing Boolean functions satisfying multiple properties is an important problem in sequence ciphers, block ciphers, and hash functions. However, the search of $n$-variable Boolean…