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The practical application of quantum technologies to chemical problems faces significant challenges, particularly in the treatment of realistic basis sets and the accurate inclusion of electron correlation effects. A direct approach to…

Classical simulations of quantum circuits are limited in both space and time when the qubit count is above 50, the realm where quantum supremacy reigns. However, recently, for the low depth circuit with more than 50 qubits, there are…

Quantum Physics · Physics 2018-08-15 Zhao-Yun Chen , Qi Zhou , Cheng Xue , Xia Yang , Guang-Can Guo , Guo-Ping Guo

Simulating a quantum circuit with a classical computer requires exponentially growing resources. Decision diagrams exploit the redundancies in quantum circuit representation to efficiently represent and simulate quantum circuits. But for…

Quantum Physics · Physics 2025-07-08 Yexin Yan , Stefan Hillmich , Robert Wille , Christian Mayr

The efficient simulation of complex quantum systems remains a central challenge due to the exponential growth of Hilbert space with system size. Tensor network methods have long been established as powerful approximation schemes, and their…

Computational Physics · Physics 2026-03-16 Min Chen , Minzhao Liu , Changhun Oh , Liang Jiang , Yuri Alexeev , Junyu Liu

We introduce a novel software-oriented model of quantum computation motivated by the practical constraints of near-term quantum hardware. In this model, gates are specified by constraints expressed in terms of Pauli observables, with each…

Quantum Physics · Physics 2026-05-22 James R. Wootton , Merlin Incerti-Medici , Daniel Bultrini , Pierre Fromholz

Quantum computers can efficiently simulate Lindbladian dynamics, enabling powerful applications in open system simulation, thermal and ground-state preparation, autonomous quantum error correction, dissipative engineering, and more. Despite…

Quantum Physics · Physics 2025-10-20 Wenjun Yu , Xiaogang Li , Qi Zhao , Xiao Yuan

Quantum computers have now appeared in our society and are utilized for the investigation of science and engineering. At present, they have been built as intermediate-size computers containing about fifty qubits and are weak against noise…

Quantum Physics · Physics 2020-12-07 Yusuke Hama

Current quantum computing hardware is restricted by the availability of only few, noisy qubits which limits the investigation of larger, more complex molecules in quantum chemistry calculations on quantum computers in the near-term. In this…

Classical simulation of quantum circuits is crucial for evaluating and validating the design of new quantum algorithms. However, the number of quantum state amplitudes increases exponentially with the number of qubits, leading to the…

Quantum Physics · Physics 2018-11-16 Xin-Chuan Wu , Sheng Di , Franck Cappello , Hal Finkel , Yuri Alexeev , Frederic T. Chong

Quantum computation is a promising emerging technology which, compared to conventional computation, allows for substantial speed-ups e.g. for integer factorization or database search. However, since physical realizations of quantum…

Quantum Physics · Physics 2018-06-07 Alwin Zulehner , Robert Wille

We construct an efficient autonomous quantum-circuit design algorithm for creating efficient quantum circuits to simulate Hamiltonian many-body quantum dynamics for arbitrary input states. The resultant quantum circuits have optimal space…

Quantum Physics · Physics 2012-10-11 Sadegh Raeisi , Nathan Wiebe , Barry C. Sanders

Analog Quantum Simulators offer a route to exploring strongly correlated many-body dynamics beyond classical computation, but their predictive power remains limited by the absence of quantitative error estimation. Establishing rigorous…

Gaining insights from realistic dynamical models of biochemical systems can be challenging given their large number of state variables. Model reduction techniques can mitigate this by decreasing complexity by mapping the model onto a…

Computational Engineering, Finance, and Science · Computer Science 2024-11-22 Alexander Leguizamon-Robayo , Antonio Jiménez-Pastor , Micro Tribastone , Max Tschaikowski , Andrea Vandin

Quantum subspace diagonalization (QSD) algorithms have emerged as a competitive family of algorithms that avoid many of the optimization pitfalls associated with parameterized quantum circuit algorithms. While the vast majority of the QSD…

Quantum Physics · Physics 2022-10-19 Cristian L. Cortes , A. Eugene DePrince , Stephen K. Gray

Simulating Clifford and near-Clifford circuits using the extended stabilizer formalism has become increasingly popular, particularly in quantum error correction. Compared to the state-vector approach, the extended stabilizer formalism can…

Quantum Physics · Physics 2026-05-18 Vu Tuan Hai , Bui Cao Doanh , Le Vu Trung Duong , Pham Hoai Luan , Yasuhiko Nakashima

With the current rate of progress in quantum computing technologies, systems with more than 50 qubits will soon become reality. Computing ideal quantum state amplitudes for circuits of such and larger sizes is a fundamental step to assess…

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

Quantum computers leverage the unique advantages of quantum mechanics to achieve acceleration over classical computers for certain problems. Currently, various quantum simulators provide powerful tools for researchers, but simulating…

Quantum Physics · Physics 2024-10-31 Shuangxiang Zhou , Ronghang Chen , Zheng An , Shi-Yao Hou

This work proposes double-bracket iterations as a framework for obtaining diagonalizing quantum circuits. Their implementation on a quantum computer consists of interlacing evolutions generated by the input Hamiltonian with diagonal…

Quantum Physics · Physics 2024-04-10 Marek Gluza

Hamiltonian simulation is a promising application for quantum computers to achieve a quantum advantage. We present classical algorithms based on tensor network methods to optimize quantum circuits for this task. We show that, compared to…

Quantum Physics · Physics 2023-06-05 Conor Mc Keever , Michael Lubasch
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