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We present a use case of practical utility of quantum computing by employing a quantum computer in the investigation of the linear H$_4$ molecule as a simple model to comply with the requirements of singlet fission. We leverage a series of…

Quantum Physics · Physics 2024-06-06 Daniel Claudino , Bo Peng , Karol Kowalski , Travis S. Humble

Preparing thermal (Gibbs) states is a common task in physics and computer science. Recent algorithms mimic cooling via system-bath coupling, where the cost is determined by mixing time, akin to classical Metropolis-like algorithms. However,…

Quantum Physics · Physics 2024-12-13 David Gamarnik , Bobak T. Kiani , Alexander Zlokapa

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

In this paper, we demonstrate the efficiency of simulations via direct computation of the partition function under various macroscopic conditions, such as different temperatures or volumes. The method can compute partition functions by…

Statistical Mechanics · Physics 2011-11-09 Cheng Zhang , Jianpeng Ma

We provide a polynomial-time classical algorithm for noisy quantum circuits. The algorithm computes the expectation value of any observable for any circuit, with a small average error over input states drawn from an ensemble (e.g. the…

Quantum Physics · Physics 2024-10-15 Thomas Schuster , Chao Yin , Xun Gao , Norman Y. Yao

Although a universal quantum computer is still far from reach, the tremendous advances in controllable quantum devices, in particular with solid-state systems, make it possible to physically implement "quantum simulators". Quantum…

Quantum Physics · Physics 2016-06-08 Zhixin Wang , Xiu Gu , Lian-Ao Wu , Yu-xi Liu

We provide fast algorithms for simulating many body Fermi systems on a universal quantum computer. Both first and second quantized descriptions are considered, and the relative computational complexities are determined in each case. In…

Quantum Physics · Physics 2009-10-30 Daniel S. Abrams , Seth Lloyd

We introduce a type of quantum dissipation -- local quantum friction -- by adding to the Hamiltonian a local potential that breaks time-reversal invariance so as to cool the system. Unlike the Kossakowski-Lindblad master equation, local…

Nuclear Theory · Physics 2013-05-30 Aurel Bulgac , Michael McNeil Forbes , Kenneth J. Roche , Gabriel Wlazłowski

We demonstrate that the thermodynamics of one-dimensional Lieb-Liniger bosons can be accurately calculated in analytic fashion using the polylog function in the framework of the thermodynamic Bethe ansatz. The approach does away with the…

Quantum Gases · Physics 2011-03-09 X. -W. Guan , M. T. Batchelor

Finding ground states of quantum many-body systems is known to be hard for both classical and quantum computers. As a result, when Nature cools a quantum system in a low-temperature thermal bath, the ground state cannot always be found…

Quantum Physics · Physics 2023-09-29 Chi-Fang Chen , Hsin-Yuan Huang , John Preskill , Leo Zhou

Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally efficient…

Quantum Physics · Physics 2011-03-08 James D. Whitfield , Jacob Biamonte , Alán Aspuru-Guzik

In this work we propose to simulate many-body thermodynamics of infinite-size quantum lattice models in one, two, and three dimensions, in terms of few-body models of only O(10) sites, which we coin as quantum entanglement simulators…

Strongly Correlated Electrons · Physics 2019-05-23 Shi-Ju Ran , Bin Xi , Cheng Peng , Gang Su , Maciej Lewenstein

A recent description of an exact map for the equilibrium structure and thermodynamics of a quantum system onto a corresponding classical system is summarized. Approximate implementations are constructed by pinning exact limits (ideal gas,…

Statistical Mechanics · Physics 2015-04-14 Jeffrey Wrighton , James Dufty , Sandipan Dutta

A quantum algorithm is developed to calculate decay rates and cross sections using quantum resources that scale polynomially in the system size assuming similar scaling for state preparation and time evolution. This is done by computing…

High Energy Physics - Theory · Physics 2020-11-18 Anthony Ciavarella

We present a scheme to efficiently simulate, with a classical computer, the dynamics of multipartite quantum systems on which the amount of entanglement (or of correlations in the case of mixed-state dynamics) is conveniently restricted.…

Quantum Physics · Physics 2016-09-08 Guifre Vidal

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

In dense neutrino gases, which exist for instance in supernovae, the flavour states of different neutrinos may become entangled with one another. The theoretical description of such systems may therefore call for simulations on a quantum…

Quantum Physics · Physics 2026-04-10 Katarina Bleau , Nikolina Ilic , Joachim Kopp , Ushak Rahaman , Xin Yue Yu

To simulate thermalizing systems at long times, the most straightforward approach is to calculate the thermal properties at the corresponding energy. In a quantum many-body system of size $N$, for local observables and many initial states,…

Statistical Mechanics · Physics 2024-06-11 Yichen Huang

We introduce a new classical simulation algorithm based on non-signaling polytopes of multipartite Bell scenarios, capable of simulating universal measurement-based quantum computation with single-qubit Pauli measurements. In our model, the…

Quantum Physics · Physics 2024-11-01 Cihan Okay , Atak Talay Yucel , Selman Ipek

Classical simulation of real-space quantum dynamics is challenging due to the exponential scaling of computational cost with system dimensions. Quantum computer offers the potential to simulate quantum dynamics with polynomial complexity;…

Quantum Physics · Physics 2021-10-13 Chee-Kong Lee , Chang-Yu Hsieh , Shengyu Zhang , Liang Shi