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Classical simulation of quantum physics is a central approach to investigating physical phenomena. Quantum computers enhance computational capabilities beyond those of classical resources, but it remains unclear to what extent existing…

Quantum Physics · Physics 2025-01-28 Adrián Pérez-Salinas , Patrick Emonts , Jordi Tura , Vedran Dunjko

Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…

Quantum Physics · Physics 2022-05-18 Alexis Ralli , Michael I. Williams , Peter V. Coveney

We present a general framework for the efficient simulation of realistic fermionic systems with modern machine learning inspired representations of quantum many-body states, towards a universal tool for ab initio electronic structure. These…

Strongly Correlated Electrons · Physics 2023-05-16 Yannic Rath , George H. Booth

Multimode Gaussian states are a versatile resource for quantum information technologies and have been realized across a wide range of physical platforms. Recent progress in the large-scale generation of such states provides a key ingredient…

Quantum Physics · Physics 2026-04-14 Chan Roh , Geunhee Gwak , Young-Do Yoon , Young-Sik Ra

Quantum algorithms for simulating electronic ground states are slower than popular classical mean-field algorithms such as Hartree-Fock and density functional theory, but offer higher accuracy. Accordingly, quantum computers have been…

Quantum systems have historically been formidable to simulate using classical computational methods, particularly as the system size grows. In recent years, advancements in quantum computing technology have offered new opportunities for…

Quantum Physics · Physics 2023-09-06 Jinao Wang , Rimika Jaiswal

We detail a quantum circuit capable of efficiently encoding analytical approximations to gravitational wave signal waveforms of compact binary coalescences into the amplitudes of quantum bits using both quantum arithmetic operations and…

Quantum Physics · Physics 2023-06-21 Fergus Hayes , Sarah Croke , Chris Messenger , Fiona Speirits

We elaborate the idea of quantum computation through measuring the correlation of a gapped ground state, while the bulk Hamiltonian is utilized to stabilize the resource. A simple computational primitive, by pulling out a single spin…

Quantum Physics · Physics 2010-07-29 Akimasa Miyake

We develop a non-perturbative approach to simulating scattering on classical and quantum computers, in which the initial and final states contain a fixed number of composite particles. The construction is designed to mimic a particle…

Quantum Physics · Physics 2023-10-30 Michael Kreshchuk , James P. Vary , Peter J. Love

Classical computation of electronic properties in large-scale materials remains challenging. Quantum computation has the potential to offer advantages in memory footprint and computational scaling. However, general and practical quantum…

Computational Physics · Physics 2025-10-14 Yiran Bai , Feng Xiong , Xueheng Kuang

High-performance techniques to simulate quantum programs on classical hardware rely on exponentially large vectors to represent quantum states. When simulating quantum algorithms, the quantum states that occur are often sparse due to…

Quantum Physics · Physics 2021-05-05 Samuel Jaques , Thomas Häner

The experimental realization of increasingly complex quantum states underscores the pressing need for new methods of state learning and verification. In one such framework, quantum state tomography, the aim is to learn the full quantum…

Quantum Physics · Physics 2025-01-30 Antonio Anna Mele , Yaroslav Herasymenko

Quantum algorithms require accurate representations of electronic states on a quantum device, yet the approximation of electronic wave functions for strongly correlated systems remains a profound theoretical challenge, with existing methods…

Quantum Physics · Physics 2025-04-29 Dipanjali Halder , Dibyendu Mondal , Rahul Maitra

In this work, we explore a new approach to designing both algorithms and error detection codes for preparing approximate ground states of molecules. We propose a classical algorithm to find the optimal stabilizer state by using excitations…

Quantum Physics · Physics 2025-09-11 Abhinav Anand , Kenneth R. Brown

This chapter provides a tutorial overview of first principles methods to describe the properties of matter at the ground state or equilibrium. It begins with a brief introduction to quantum and statistical mechanics for predicting the…

Computational Engineering, Finance, and Science · Computer Science 2020-10-14 Jianzhong Wu , Mengyang Gu

Hamiltonian simulation is a domain where quantum computers have the potential to outperform their classical counterparts. One of the main challenges of such quantum algorithms is increasing the system size, which is necessary to achieve…

Quantum Physics · Physics 2025-02-07 Erenay Karacan , Yanbin Chen , Christian B. Mendl

The ability to efficiently state-prepare Gaussian distributions is critical to the success of numerous quantum algorithms. The most popular algorithm for this subroutine (Kitaev-Webb) has favorable polynomial resource scaling, however it…

Quantum Physics · Physics 2025-08-07 Parker Kuklinski , Benjamin Rempfer , Kevin Obenland , Justin Elenewski

The problems of quantum state preparation and matrix block-encoding are ubiquitous in quantum computing: they are crucial parts of various quantum algorithms for the purpose for initial state preparation as well as loading problem relevant…

Although quantum computation (QC) is regarded as a promising numerical method for computational quantum chemistry, current applications of quantum-chemistry calculations on quantum computers are limited to small molecules. This limitation…

Quantum state tomography (QST) is the gold standard technique for obtaining an estimate for the state of small quantum systems in the laboratory. Its application to systems with more than a few constituents (e.g. particles) soon becomes…