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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

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,…

Digital quantum simulations offer exciting perspectives for the study of fermionic systems such as molecules or lattice models. However, with quantum error correction still being out of reach with present-day technology, a non-vanishing…

Quantum simulations of chemistry in first quantization offer important advantages over approaches in second quantization including faster convergence to the continuum limit and the opportunity for practical simulations outside the…

Quantum Physics · Physics 2021-12-02 Yuan Su , Dominic W. Berry , Nathan Wiebe , Nicholas Rubin , Ryan Babbush

Simulating the dynamics of open quantum systems is a crucial task in quantum computing, offering wide-ranging applications but remaining computationally challenging. In this paper, we propose two quantum algorithms for simulating the…

Quantum Physics · Physics 2025-10-29 Sirui Peng , Xiaoming Sun , Qi Zhao , Hongyi Zhou

We study the efficiency of algorithms simulating a system evolving with Hamiltonian $H=\sum_{j=1}^m H_j$. We consider high order splitting methods that play a key role in quantum Hamiltonian simulation. We obtain upper bounds on the number…

Quantum Physics · Physics 2010-10-12 Anargyros Papageorgiou , Chi Zhang

The rotation of subspaces by a chosen angle is a fundamental quantum computing operation, with applications in error correction and quantum algorithms such as the Quantum Approximate Optimization Algorithm, the Variational Quantum…

Quantum Physics · Physics 2022-03-04 Xiu Gu , Jonathan Allcock , Shuoming An , Yu-xi Liu

Simulating large-scale coupled-oscillator systems presents substantial computational challenges for classical algorithms, particularly when pursuing first-principles analyses in the thermodynamic limit. Motivated by the quantum algorithm…

Product formulas can be used to simulate Hamiltonian dynamics on a quantum computer by approximating the exponential of a sum of operators by a product of exponentials of the individual summands. This approach is both straightforward and…

Quantum Physics · Physics 2019-09-04 Andrew M. Childs , Aaron Ostrander , Yuan Su

Many optimally scaling quantum simulation algorithms employ controlled time evolution of the Hamiltonian, which is typically the major bottleneck for their efficient implementation. This work establishes a compression protocol for encoding…

Quantum Physics · Physics 2026-04-09 Erenay Karacan

Trotterization is one of the central approaches for simulating quantum many-body dynamics on quantum computers or tensor networks. In addition to its simple implementation, recent studies have revealed that its error and cost can be reduced…

Quantum Physics · Physics 2025-10-17 Kaoru Mizuta , Tomotaka Kuwahara

Given a quantum Hamiltonian and its evolution time, the corresponding unitary evolution operator can be constructed in many different ways, corresponding to different trajectories between the desired end-points. A choice among these…

Quantum Physics · Physics 2015-03-05 Apoorva Patel

The precise description of quantum nuclear fluctuations in atomistic modelling is possible by employing path integral techniques, which involve a considerable computational overhead due to the need of simulating multiple replicas of the…

Chemical Physics · Physics 2017-03-23 Venkat Kapil , Jörg Behler , Michele Ceriotti

The most advanced techniques using fault-tolerant quantum computers to estimate the ground-state energy of a chemical Hamiltonian involve compression of the Coulomb operator through tensor factorizations, enabling efficient block-encodings…

The construction of quantum computer simulators requires advanced software which can capture the most significant characteristics of the quantum behavior and quantum states of qubits in such systems. Additionally, one needs to provide valid…

Large-scale classical simulation of quantum computers is crucial for benchmarking quantum algorithms, establishing boundaries of quantum advantage and exploring heuristic quantum algorithms. We present a full-state vector simulation…

The development and implementation of increasingly accurate methods for electronic structure calculations mean that, for many atomistic simulation problems, treating light nuclei as classical particles is now one of the most serious…

Materials Science · Physics 2016-02-12 Venkat Kapil , Joost VandeVondele , Michele Ceriotti

Fault-tolerant quantum computing is a promising tool for simulating molecules and materials, but frequently-considered applications require substantial resources, and the gap between hardware capabilities and requirements remains…

In this paper, we demonstrate that optimal control algorithms can be used to speed up the implementation of modules of quantum algorithms or quantum simulations in networks of coupled qubits. The gain is most prominent in realistic cases,…

Quantum Physics · Physics 2008-12-20 T. Schulte-Herbrueggen , A. K. Spoerl , N. Khaneja , S. J. Glaser

We present a quantum averaging theory (QAT) for analytically modeling unitary gate dynamics in driven quantum systems beyond the rotating-wave approximation. QAT addresses the simultaneous presence of distinct timescales by generating a…

Quantum Physics · Physics 2026-01-05 Kristian D. Barajas , Wesley C. Campbell
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