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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

We propose a hybrid quantum-classical algorithm for the simulation of real-time dynamics in interacting quantum field theories coupled to classical fields, focusing on the self-consistent estimation of semiclassical backreaction. By…

General Relativity and Quantum Cosmology · Physics 2026-03-27 Carlos Fulgado-Claudio , Daniel González-Cuadra , Jose Beltrán Jiménez , Alejandro Bermudez

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…

Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable the determinations of the ground or low energy states of…

Quantum Physics · Physics 2021-12-06 Chee-Kong Lee , Jonathan Wei Zhong Lau , Liang Shi , Leong Chuan Kwek

The extent to which quantum computers can simulate physical phenomena and solve the partial differential equations (PDEs) that govern them remains a central open question. In this work, one of the most fundamental PDEs is addressed: the…

Quantum Physics · Physics 2025-08-26 Julien Zylberman , Thibault Fredon , Nuno F. Loureiro , Fabrice Debbasch

In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…

The advection-diffusion equation is simulated on a superconducting quantum computer via several quantum algorithms. Three formulations are considered: (1) Trotterization, (2) variational quantum time evolution (VarQTE), and (3) adaptive…

We provide a new approach for compiling quantum simulation circuits that appear in Trotter, qDRIFT and multi-product formulas to Clifford and non-Clifford operations that can reduce the number of non-Clifford operations by a factor of up to…

Quantum Physics · Physics 2023-05-09 Priyanka Mukhopadhyay , Nathan Wiebe , Hong Tao Zhang

Conventional methods of quantum simulation involve trade-offs that limit their applicability to specific contexts where their use is optimal. In particular, the interaction picture simulation has been found to provide substantial asymptotic…

Quantum Physics · Physics 2022-08-17 Abhishek Rajput , Alessandro Roggero , Nathan Wiebe

Molecular dynamics simulations yield large amounts of trajectory data. For their durable storage and accessibility an efficient compression algorithm is paramount. State of the art domain-specific algorithms combine quantization, Huffman…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-01-13 Jan Huwald , Stephan Richter , Peter Dittrich

The Lindblad equation generalizes the Schr\"{o}dinger equation to quantum systems that undergo dissipative dynamics. The quantum simulation of Lindbladian dynamics is therefore non-unitary, preventing a naive application of state-of-the-art…

Quantum Physics · Physics 2025-03-20 Matthew Pocrnic , Dvira Segal , Nathan Wiebe

The possibility of using similarity transformations to alter dynamical entanglement growth in matrix-product-state simulations of quantum systems is explored. By appropriately choosing the similarity transformation, the entanglement growth…

Quantum Physics · Physics 2023-07-14 Hanggai Nuomin , Feng-feng Song , Peng Zhang , David N. Beratan

We adapt a recent advance in resource-frugal quantum signal processing - the Quantum Eigenvalue Transform with Unitary matrices (QET-U) - to explore non-unitary imaginary time evolution on early fault-tolerant quantum computers using…

Quantum Physics · Physics 2023-04-12 Hans Hon Sang Chan , David Muñoz Ramo , Nathan Fitzpatrick

Simulating the time-evolution of a Hamiltonian is one of the most promising applications of quantum computers. Multi-Product Formulas (MPFs) are well suited to replace standard product formulas since they scale better with respect to time…

Quantum Physics · Physics 2023-07-26 Almudena Carrera Vazquez , Daniel J. Egger , David Ochsner , Stefan Woerner

A potential approach for demonstrating quantum advantage is using quantum computers to simulate fermionic systems. Quantum algorithms for fermionic system simulation usually involve the Hamiltonian evolution and measurements. However, in…

Quantum Physics · Physics 2025-05-14 Qing-Song Li , Jiaxuan Zhang , Huan-Yu Liu , Qingchun Wang , Yu-Chun Wu , Guo-Ping Guo

The simulation of molecules is a widely anticipated application of quantum computers. However, recent studies \cite{WBCH13a,HWBT14a} have cast a shadow on this hope by revealing that the complexity in gate count of such simulations…

Quantum Physics · Physics 2015-10-05 David Poulin , M. B. Hastings , Dave Wecker , Nathan Wiebe , Andrew C. Doherty , Matthias Troyer

Combinatorial optimization is a promising application for near-term quantum computers, however, identifying performant algorithms suited to noisy quantum hardware remains as an important goal to potentially realizing quantum computational…

Quantum Physics · Physics 2025-04-01 Titus D. Morris , Ananth Kaushik , Martin Roetteler , Phillip C. Lotshaw

The Lie-Trotter formula, together with its higher-order generalizations, provides a direct approach to decomposing the exponential of a sum of operators. Despite significant effort, the error scaling of such product formulas remains poorly…

Quantum Physics · Physics 2021-02-05 Andrew M. Childs , Yuan Su , Minh C. Tran , Nathan Wiebe , Shuchen Zhu

Simulating computationally intractable many-body problems on a quantum simulator holds great potential to deliver insights into physical, chemical, and biological systems. While the implementation of Hamiltonian dynamics within a quantum…

Quantum Physics · Physics 2020-03-27 Meghana Raghunandan , Fabian Wolf , Christian Ospelkaus , Piet O. Schmidt , Hendrik Weimer

We present a quantum algorithm based on repeated measurement to solve initial-value problems for nonlinear ordinary differential equations (ODEs), which may be generated from partial differential equations in plasma physics. We map a…

Quantum Physics · Physics 2025-04-30 Joseph Andress , Alexander Engel , Yuan Shi , Scott Parker
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