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Quantum computing has recently exhibited great potentials in predicting chemical properties for various applications in drug discovery, material design, and catalyst optimization. Progress has been made in simulating small molecules, such…

Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules,…

Quantum Physics · Physics 2023-05-30 Changsu Cao , Jinzhao Sun , Xiao Yuan , Han-Shi Hu , Hung Q. Pham , Dingshun Lv

Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits. In order to harness…

Materials Science · Physics 2020-07-07 He Ma , Marco Govoni , Giulia Galli

Computing ground-state properties of molecules is a promising application for quantum computers operating in concert with classical high-performance computing resources. Quantum embedding methods are a family of algorithms particularly…

We study the problem of compilation of quantum algorithms into optimized physical-level circuits executable in a quantum information processing (QIP) experiment based on trapped atomic ions. We report a complete strategy: starting with an…

Quantum Physics · Physics 2017-02-22 Dmitri Maslov

Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…

Quantum Physics · Physics 2022-05-18 Alexis Ralli , Michael I. Williams , Peter V. Coveney

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 Physics · Physics 2025-01-30 Jonathan Nemirovsky , Maya Chuchem , Yotam Shapira

Quantum computing gates are proposed to apply on trapped ions in decoherence-free states. As phase changes due to time evolution of components with different eigenenergies of quantum superposition are completely frozen, quantum computing…

Quantum Physics · Physics 2009-11-07 Mang Feng , Xiaoguang Wang

Quantum computing has emerged as a promising platform for simulating strongly correlated systems in chemistry, for which the standard quantum chemistry methods are either qualitatively inaccurate or too expensive. However, due to the…

Chemical Physics · Physics 2024-05-06 Max Rossmannek , Fabijan Pavošević , Angel Rubio , Ivano Tavernelli

With the aim of establishing a framework to efficiently perform the practical application of quantum chemistry simulation on near-term quantum devices, we envision a hybrid quantum--classical framework for leveraging problem decomposition…

Variational quantum algorithms constitute one of the most widespread methods for using current noisy quantum computers. However, it is unknown if these heuristic algorithms provide any quantum-computational speedup, although we cannot…

We investigate fully self-consistent multiscale quantum-classical algorithms on current generation superconducting quantum computers, in a unified approach to tackle the correlated electronic structure of large systems in both quantum…

Accurate simulation of dynamical processes in molecules and reactions is among the most challenging problems in quantum chemistry. Quantum computers promise efficient chemical simulation, but the existing quantum algorithms require many…

Quantum computers hold promise to improve the efficiency of quantum simulations of materials and to enable the investigation of systems and properties more complex than tractable at present on classical architectures. Here, we discuss…

Quantum Physics · Physics 2022-05-03 Christian Vorwerk , Nan Sheng , Marco Govoni , Benchen Huang , Giulia Galli

We explore the potential for hybrid development of quantum hardware where currently available quantum computers simulate open Cavity Quantum Electrodynamical (CQED) systems for applications in optical quantum communication, simulation and…

We study an open quantum system simulation on quantum hardware, which demonstrates robustness to hardware errors even with deep circuits containing up to two thousand entangling gates. We simulate two systems of electrons coupled to an…

Trapped ions offer long coherence times and high fidelity, programmable quantum operations, making them a promising platform for quantum simulation of condensed matter systems, quantum dynamics, and problems related to high-energy physics.…

Quantum Physics · Physics 2024-09-09 Michael Foss-Feig , Guido Pagano , Andrew C. Potter , Norman Y. Yao

We first consider the basic requirements for a quantum computer, arguing for the attractiveness of nuclear spins as information-bearing entities, and light for the coupling which allows quantum gates. We then survey the strengths of and…

Quantum Physics · Physics 2015-06-26 A. M. Steane , D. M. Lucas

Quantum computers have the potential to efficiently simulate the dynamics of many interacting quantum particles, a classically intractable task of central importance to fields ranging from chemistry to high-energy physics. However,…

This paper introduces an algorithm designed to approximate quantum transformation matrix with a restricted number of gates by using the block decomposition technique. Addressing challenges posed by numerous gates in handling large qubit…

Quantum Physics · Physics 2025-10-16 Lai Kin Man , Xin Wang
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