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Optimization of unitary transformations in Variational Quantum Algorithms benefits highly from efficient evaluation of cost function gradients with respect to amplitudes of unitary generators. We propose several extensions of the…

Quantum Physics · Physics 2022-01-12 Artur F. Izmaylov , Robert A. Lang , Tzu-Ching Yen

We present a quantum solver for partial differential equations based on a flexible matrix product operator representation. Utilizing mid-circuit measurements and a state-dependent norm correction, this scheme overcomes the restriction of…

Quantum Physics · Physics 2026-04-22 Pia Siegl , Greta Sophie Reese , Tomohiro Hashizume , Nis-Luca van Hülst , Dieter Jaksch

Quantum chemistry simulations on a quantum computer suffer from the overhead needed for encoding the fermionic problem in a bosonic system of qubits. By exploiting the block diagonality of a fermionic Hamiltonian, we show that the number of…

Quantum Physics · Physics 2016-06-09 Nikolaj Moll , Andreas Fuhrer , Peter Staar , Ivano Tavernelli

In the quest for fault-tolerant quantum computation using superconducting processors, accurate performance assessment and continuous design optimization stands at the forefront. To facilitate both meticulous simulation and streamlined…

Quantum Physics · Physics 2024-03-21 Xiaotong Ni , Ziang Wang , Rui Chao , Jianxin Chen

Developing equivariant neural networks for the E(3) group plays an important role in modeling 3D data across real-world applications. Enforcing this equivariance primarily involves the tensor products of irreducible representations…

Machine Learning · Computer Science 2024-11-12 Shengjie Luo , Tianlang Chen , Aditi S. Krishnapriyan

Achieving an accurate description of fermionic systems typically requires considerably many more orbitals than fermions. Previous resource analyses of quantum chemistry simulation often failed to exploit this low fermionic number…

Quantum Physics · Physics 2022-05-24 Sam McArdle , Earl Campbell , Yuan Su

We propose a method for the efficient quantum simulation of fermionic systems with superconducting circuits. It consists in the suitable use of Jordan-Wigner mapping, Trotter decomposition, and multiqubit gates, be with the use of a quantum…

Quantum Physics · Physics 2015-04-01 U. Las Heras , L. García-Álvarez , A. Mezzacapo , E. Solano , L. Lamata

The fundamental question of how to best simulate quantum systems using conventional computational resources lies at the forefront of condensed matter and quantum computation. It impacts both our understanding of quantum materials and our…

Strongly Correlated Electrons · Physics 2021-09-29 Juan Carrasquilla , Di Luo , Felipe Pérez , Ashley Milsted , Bryan K. Clark , Maksims Volkovs , Leandro Aolita

Fundamental matrix operations and solving linear systems of equations are ubiquitous in scientific investigations. Using the "Sender-Receiver" model, we propose quantum algorithms for matrix operations such as matrix-vector product,…

Quantum Physics · Physics 2024-03-11 Wentao Qi , Alexandr I. Zenchuk , Asutosh Kumar , Junde Wu

Quantum Hamiltonians containing nonseparable products of non-commuting operators, such as $\hat{\bf x}^m \hat{\bf p}^n$, are problematic for numerical studies using split-operator techniques since such products cannot be represented as a…

Quantum Physics · Physics 2023-03-15 Maximilian Ciric , Denys I. Bondar , Ole Steuernagel

Shape dependence of higher order correlations introduces complication in direct determination of these quantities. For this reason theoretical and observational progress has been restricted in calculating one point distribution functions…

Astrophysics · Physics 2007-05-23 Dipak Munshi , Adrian L. Melott

Efficient simulation of quantum dynamics with time-dependent Hamiltonians is important not only for time-varying systems but also for time-independent Hamiltonians in the interaction picture. Such simulations are more challenging than their…

Quantum Physics · Physics 2025-09-09 Di Fang , Diyi Liu , Shuchen Zhu

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.…

Chemical Physics · Physics 2025-06-24 Tomoya Shiota , Klaas Gunst , Toshio Mori , Toru Shiozaki , Wataru Mizukami

Quantum simulation using time evolution in phase estimation-based quantum algorithms can yield unbiased solutions of classically intractable models. However, long runtimes open such algorithms to decoherence. We show how measurement-based…

Quantum Physics · Physics 2022-08-11 Woo-Ram Lee , Zhangjie Qin , Robert Raussendorf , Eran Sela , V. W. Scarola

From the literature it is known that orthogonal polynomials as the Jacobi polynomials can be expressed by hypergeometric series. In this paper, the authors derive several contiguous relations for terminating multivariate hypergeometric…

Numerical Analysis · Mathematics 2023-10-05 Sven Beuchler , Tim Haubold , Veronika Pillwein

Hamiltonian simulation is one of the most promising applications of quantum computers, and the product formula is one of the most important methods for this purpose. Previous related work has mainly focused on the worst$-$case or…

Quantum Physics · Physics 2024-09-04 Langyu Li

Exponential time differencing methods is a power tool for high-performance numerical simulation of computationally challenging problems in condensed matter physics, fluid dynamics, chemical and biological physics, where mathematical models…

Numerical Analysis · Mathematics 2024-10-15 Evelina V. Permyakova , Denis S. Goldobin

Density matrices evolved according the von Neumann equation are commonly used to simulate the dynamics of driven quantum systems. However, computational methods using density matrices are often too slow to explore the large parameter spaces…

Computational Physics · Physics 2022-02-02 Spenser Talkington , HongWen Jiang

Product-formula (PF) based quantum simulation is a promising approach for simulating quantum systems on near-term quantum computers. Achieving a desired simulation precision typically requires a polynomially increasing number of Trotter…

Quantum Physics · Physics 2026-02-03 Seung Park , Sangjin Lee , Kyunghyun Baek

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