English
Related papers

Related papers: Optimizing Quantum Chemistry Simulations with a Hy…

200 papers

We propose a hybrid quantum computing scheme where qubit degrees of freedom for computation are combined with quantum continuous variables for communication. In particular, universal two-qubit gates can be implemented deterministically…

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

Quantum Computing has been evolving in the last years. Although nowadays quantum algorithms performance has shown superior to their classical counterparts, quantum decoherence and additional auxiliary qubits needed for error tolerance…

Quantum Physics · Physics 2021-05-06 O. M. Pires , E. I. Duzzioni , J. Marchi , R. Santiago

Classical simulators play a major role in the development and benchmark of quantum algorithms and practically any software framework for quantum computation provides the option of running the algorithms on simulators. However, the…

Quantum Physics · Physics 2022-05-04 Gian Giacomo Guerreschi

Variational quantum eigensolver~(VQE) typically optimizes variational parameters in a quantum circuit to prepare eigenstates for a quantum system. Its applications to many problems may involve a group of Hamiltonians, e.g., Hamiltonian of a…

Quantum Physics · Physics 2021-01-19 Zhan-Hao Yuan , Tao Yin , Dan-Bo Zhang

Variational algorithms for strongly correlated chemical and materials systems are one of the most promising applications of near-term quantum computers. We present an extension to the variational quantum eigensolver that approximates the…

Quantum Physics · Physics 2020-08-26 William J. Huggins , Joonho Lee , Unpil Baek , Bryan O'Gorman , K. Birgitta Whaley

In Ref. [Phys. Rev. A 100, 062317 (2019)], the authors reported an algorithm to implement, in a circuit-based quantum computer, a general quantum measurement (GQM) of a two-level quantum system, a qubit. Even though their algorithm seems…

Quantum Physics · Physics 2023-02-10 Douglas F. Pinto , Marcelo S. Zanetti , Marcos L. W. Basso , Jonas Maziero

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…

In recent years, various techniques have been explored for the verification of quantum circuits, including the use of barrier certificates, mathematical tools capable of demonstrating the correctness of such systems. These certificates…

Logic in Computer Science · Computer Science 2025-06-23 Siwei Hu , Victor Lopata , Sadegh Soudjani , Paolo Zuliani

We propose using variational quantum algorithms (VQAs) to simulate established quantum algorithms under realistic noise conditions, aiming to surpass the fidelity of theoretical circuits in noisy environments. Focusing on the Quantum…

Quantum computer architectures impose restrictions on qubit interactions. We propose efficient circuit transformations that modify a given quantum circuit to fit an architecture, allowing for any initial and final mapping of circuit qubits…

Quantum Physics · Physics 2019-09-10 Andrew M. Childs , Eddie Schoute , Cem M. Unsal

Density Functional Theory (DFT) is widely used for atomistic simulations. However, its reach stays limited due to several limitations such as lack of accurate exchange-correlation functional, requirement of costly O(N 3) diagonalization…

Quantum Physics · Physics 2026-05-18 Namrata Manglani , Samrit Kumar Maity , Shashank Sharma , Soham Phulare , Sanjay Wandhekar

Implementing variational quantum algorithms with noisy intermediate-scale quantum machines of up to a hundred qubits is nowadays considered as one of the most promising routes towards achieving a quantum practical advantage. In multiqubit…

Quantum Physics · Physics 2021-08-18 Andrey Kardashin , Anastasiia Pervishko , Jacob Biamonte , Dmitry Yudin

Parameterized quantum circuits (PQCs) play an essential role in the application of variational quantum algorithms (VQAs) in noisy intermediate-scale quantum (NISQ) devices. The PQCs are a leading candidate to achieve a quantum advantage in…

Quantum Physics · Physics 2025-10-10 Joona V. Pankkonen , Matti Raasakka , Andrea Marchesin , Ilkka Tittonen

Quantum computers promise to revolutionize our ability to simulate molecules, and cloud-based hardware is becoming increasingly accessible to a wide body of researchers. Algorithms such as Quantum Phase Estimation and the Variational…

Quantum Physics · Physics 2021-12-21 Kyle Sherbert , Frank Cerasoli , Marco Buongiorno Nardelli

This article proposes a formalism which unifies Hamiltonian simulation techniques from different fields. This formalism leads to a competitive method to construct the Hamiltonian simulation with a comprehensible, simple-to-implement circuit…

Quantum Physics · Physics 2025-01-22 Robin Ollive , Stephane Louise

Quantum metrology explores quantum effects to improve the measurement accuracy of some physical quantities beyond the classical limit. However, due to the interaction between the system and the environment, the decoherence can significantly…

Quantum Physics · Physics 2024-05-07 Cheng-Ge Liu , Cong-Wei Lu , Na-Na Zhang , Qing Ai

We present quantum algorithms, for Hamiltonians of linear combinations of local unitary operators, for Hamiltonian matrix-vector products and for preconditioning with the inverse of shifted reduced Hamiltonian operator that contributes to…

Quantum Physics · Physics 2020-09-09 Zhiyong Zhang

Path integral-based simulation methodologies play a crucial role for the investigation of nuclear quantum effects by means of computer simulations. However, these techniques are significantly more demanding than corresponding classical…

Statistical Mechanics · Physics 2018-01-17 Karsten Kreis , Kurt Kremer , Raffaello Potestio , Mark E. Tuckerman

Classical algorithms for predicting the equilibrium geometry of strongly correlated molecules require expensive wave function methods that become impractical already for few-atom systems. In this work, we introduce a variational quantum…