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We present a classical simulation method for fermionic quantum systems which, without loss of generality, can be represented by parity-preserving circuits made of two-qubit gates in a brick-wall structure. We map such circuits to a…

Quantum Physics · Physics 2025-04-29 Carolin Wille , Sergii Strelchuk

The quantum simulation of quantum chemistry is a promising application of quantum computers. However, for N molecular orbitals, the $\mathcal{O}(N^4)$ gate complexity of performing Hamiltonian and unitary Coupled Cluster Trotter steps makes…

Computational Physics · Physics 2022-05-18 Mario Motta , Erika Ye , Jarrod R. McClean , Zhendong Li , Austin J. Minnich , Ryan Babbush , Garnet Kin-Lic Chan

Analog circuit topology synthesis is integral to Electronic Design Automation (EDA), enabling the automated creation of circuit structures tailored to specific design requirements. However, the vast design search space and strict constraint…

Computation and Language · Computer Science 2025-06-04 Prashanth Vijayaraghavan , Luyao Shi , Ehsan Degan , Vandana Mukherjee , Xin Zhang

Digital quantum simulation has broad applications in approximating unitary evolution of Hamiltonians. In practice, many simulation tasks for quantum systems focus on quantum states in the low-energy subspace instead of the entire Hilbert…

Quantum Physics · Physics 2024-07-16 Weiyuan Gong , Shuo Zhou , Tongyang Li

Recent advances in batch (offline) reinforcement learning have shown promising results in learning from available offline data and proved offline reinforcement learning to be an essential toolkit in learning control policies in a model-free…

Machine Learning · Computer Science 2022-12-19 Ashish Kumar , Ilya Kuzovkin

Efficiently characterising quantum systems, verifying operations of quantum devices and validating underpinning physical models, are central challenges for the development of quantum technologies and for our continued understanding of…

Simulation of interacting fermionic Hamiltonians is one of the most promising applications of quantum computers. However, the feasibility of analysing fermionic systems with a quantum computer hinges on the efficiency of fermion-to-qubit…

Quantum Physics · Physics 2025-10-27 Jeffery Yu , Yuan Liu , Sho Sugiura , Troy Van Voorhis , Sina Zeytinoğlu

The problem of sample complexity of online reinforcement learning is often studied in the literature without taking into account any partial knowledge about the system dynamics that could potentially accelerate the learning process. In this…

Machine Learning · Computer Science 2024-06-04 Meshal Alharbi , Mardavij Roozbehani , Munther Dahleh

CNOT gates are fundamental to quantum computing, as they facilitate entanglement, a crucial resource for quantum algorithms. Certain classes of quantum circuits are constructed exclusively from CNOT gates. Given their widespread use, it is…

Artificial Intelligence · Computer Science 2026-02-24 Riccardo Romanello , Daniele Lizzio Bosco , Jacopo Cossio , Dusan Sutulovic , Giuseppe Serra , Carla Piazza , Paolo Burelli

This work focuses on optimizing the gates of a quantum circuit with a given topology to approximate the unitary time evolution governed by a Hamiltonian. Recognizing that unitary matrices form a mathematical manifold, we employ Riemannian…

Quantum Physics · Physics 2025-07-01 Fabian Putterer , Max M. Zumpe , Isabel Nha Minh Le , Qunsheng Huang , Christian B. Mendl

We present tools and methods to generalize parity compilation to digital quantum computing devices with arbitrary connectivity graphs and construct circuit implementations for the constraint Hamiltonian of higher-order constrained binary…

Quantum Physics · Physics 2025-12-01 Roeland ter Hoeven , Anette Messinger , Wolfgang Lechner

Researchers and industries are increasingly drawn to quantum computing for its computational potential. However, validating new quantum algorithms is challenging due to the limitations of current quantum devices. Software simulators are…

We consider simulating quantum systems on digital quantum computers. We show that the performance of quantum simulation can be improved by simultaneously exploiting commutativity of the target Hamiltonian, sparsity of interactions, and…

Quantum Physics · Physics 2021-07-06 Yuan Su , Hsin-Yuan Huang , Earl T. Campbell

Simulation of quantum systems is expected to be one of the most important applications of quantum computing, with much of the theoretical work so far having focused on fermionic and spin-$\frac{1}{2}$ systems. Here, we instead consider…

Simulation of fermionic systems is one of the most promising applications of quantum computers. It spans problems in quantum chemistry, high-energy physics and condensed matter. Underpinning the core steps of any quantum simulation…

Quantum Physics · Physics 2026-03-24 Mitchell Chiew , Cameron Ibrahim , Ilya Safro , Sergii Strelchuk

Hamiltonian representations based on the sum-of-squares (SOS) hierarchy provide rigorous lower bounds on ground-state energies and facilitate the design of efficient classical and quantum simulation algorithms. This work presents a unified…

Quantum Physics · Physics 2026-02-06 Nicholas C. Rubin , Guang Hao Low , A. Eugene DePrince

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

While reduced-order models (ROMs) have been popular for efficiently solving large systems of differential equations, the stability of reduced models over long-time integration is of present challenges. We present a greedy approach for ROM…

Numerical Analysis · Mathematics 2018-03-20 Babak Maboudi Afkham , Jan S. Hesthaven

We show how to absorb fermionic quantum simulation's expensive fermion-to-qubit mapping overhead into the overhead already incurred by surface-code-based fault-tolerant quantum computing. The key idea is to process information in…

Quantum Physics · Physics 2023-07-10 Andrew J. Landahl , Benjamin C. A. Morrison

The study of out-of-equilibrium quantum many-body dynamics remains one of the most exciting research frontiers of physics, standing at the crossroads of our understanding of complex quantum phenomena and the realization of quantum…

Quantum Physics · Physics 2025-11-24 Matteo D'Anna , Yuxuan Zhang , Roeland Wiersema , Manuel S. Rudolph , Juan Carrasquilla
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