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We present and open source a quantum circuit simulator tailored to chemistry applications. More specifically, our simulator can compute the Born-rule probabilities of samples obtained from circuits containing passive fermionic linear…

Quantum chemistry and materials science are among the most promising areas for demonstrating algorithmic quantum advantage and quantum utility due to their inherent quantum mechanical nature. Still, large-scale simulations of quantum…

We propose an efficient quantum algorithm for simulating the dynamics of general Hamiltonian systems. Our technique is based on a power series expansion of the time-evolution operator in its off-diagonal terms. The expansion decouples the…

Quantum Physics · Physics 2021-06-22 Amir Kalev , Itay Hen

Simulation of quantum systems is notoriously challenging for classical computers, while quantum hardware is naturally well-suited for this task. However, the imperfections of contemporary quantum systems poses a considerable challenge in…

Quantum Physics · Physics 2025-01-10 Yotam Shapira , Jovan Markov , Nitzan Akerman , Ady Stern , Roee Ozeri

Quantum computation is one of the most promising new paradigms for the simulation of physical systems composed of electrons and atomic nuclei, with applications in chemistry, solid-state physics, materials science, and molecular biology.…

Quantum Physics · Physics 2024-11-05 Jakob Günther , Alberto Baiardi , Markus Reiher , Matthias Christandl

Recent work has shown that it can be advantageous to implement a composite channel that partitions the Hamiltonian $H$ for a given simulation problem into subsets $A$ and $B$ such that $H=A+B$, where the terms in $A$ are simulated with a…

Quantum Physics · Physics 2023-06-30 Matthew Pocrnic , Matthew Hagan , Juan Carrasquilla , Dvira Segal , Nathan Wiebe

Tensor networks and quantum computation are two of the most powerful tools for the simulation of quantum many-body systems. Rather than viewing them as competing approaches, here we consider how these two methods can work in tandem. We…

Efficient simulation of quantum circuits has become indispensable with the rapid development of quantum hardware. The primary simulation methods are based on state vectors and tensor networks. As the number of qubits and quantum gates grows…

Quantum Physics · Physics 2024-08-13 Feng Pan , Hanfeng Gu , Lvlin Kuang , Bing Liu , Pan Zhang

Randomized quantum algorithms have been proposed in the context of quantum simulation and quantum linear algebra with the goal of constructing shallower circuits than methods based on block encodings. While the algorithmic complexities of…

Quantum Physics · Physics 2025-10-16 Siddharth Hariprakash , Roel Van Beeumen , Katherine Klymko , Daan Camps

Constrained optimization plays a crucial role in the fields of quantum physics and quantum information science and becomes especially challenging for high-dimensional complex structure problems. One specific issue is that of quantum process…

Quantum Physics · Physics 2024-04-30 Daniel Volya , Andrey Nikitin , Prabhat Mishra

We present a novel, computationally efficient approach to accelerate quantum optimal control calculations of large multi-qubit systems used in a variety of quantum computing applications. By leveraging the intrinsic symmetry of finite…

Quantum Physics · Physics 2023-10-05 Xian Wang , Mahmut Sait Okyay , Anshuman Kumar , Bryan M. Wong

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…

Simulating quantum dynamics on classical computers is challenging for large systems due to the significant memory requirements. Simulation on quantum computers is a promising alternative, but fully optimizing quantum circuits to minimize…

Moderate-size quantum computers are now publicly accessible over the cloud, opening the exciting possibility of performing dynamical simulations of quantum systems. However, while rapidly improving, these devices have short coherence times,…

In designing quantum control, it is generally required to simulate the controlled system evolution with a classical computer. However, computing the time evolution operator can be quite resource-consuming since the total Hamiltonian is…

Quantum Physics · Physics 2022-10-25 Xiaodong Yang , Xinfang Nie , Yunlan Ji , Tao Xin , Dawei Lu , Jun Li

The most efficient known quantum circuits for preparing unitary coupled cluster states and applying Trotter steps of the arbitrary basis electronic structure Hamiltonian involve interleaved sequences of fermionic Gaussian circuits and Ising…

Quantum Physics · Physics 2021-09-13 Nicholas C. Rubin , Joonho Lee , Ryan Babbush

We derive higher-order error bounds with small prefactors for a general Trotter product formula, generalizing a result of Childs et al. [Phys. Rev. X 11, 011020 (2021)]. We then apply these bounds to the real-time quantum time evolution…

Quantum Physics · Physics 2023-11-06 Ansgar Schubert , Christian B. Mendl

Quantum simulation, fundamental in quantum algorithm design, extends far beyond its foundational roots, powering diverse quantum computing applications. However, optimizing the compilation of quantum Hamiltonian simulation poses significant…

Quantum Physics · Physics 2024-08-08 Xiuqi Cao , Junyu Zhou , Yuhao Liu , Yunong Shi , Gushu Li

Quantum circuit simulation provides the foundation for the development of quantum algorithms and the verification of quantum supremacy. Among the various methods for quantum circuit simulation, tensor network contraction has been increasing…

Quantum Physics · Physics 2023-07-11 Hiroyuki Ootomo , Hidetaka Manabe , Kenji Harada , Rio Yokota

Transport phenomena play a key role in a variety of application domains, and efficient simulation of these dynamics remains an outstanding challenge. While quantum computers offer potential for significant speedups, existing algorithms…

Quantum Physics · Physics 2026-02-04 Joseph Li , Gengzhi Yang , Jiaqi Leng , Xiaodi Wu
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