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Quantum-chemical simulations are essential for predicting energies of chemical reactions. Accurately solving the many-body Schr\"odinger equation for reagent and product states of most relevant chemical process is, however, unfeasible.…

Quantum simulation has become a promising avenue of research that allows one to simulate and gain insight into the models of High Energy Physics whose experimental realizations are either complicated or inaccessible with current technology.…

High Energy Physics - Phenomenology · Physics 2023-08-01 S. Hasibul Hassan Chowdhury , Talal Ahmed Chowdhury , Salah Nasri , Omar Ibna Nazim , Shaikh Saad

Quantum chemistry provides a target for quantum simulation of considerable scientific interest and industrial importance. The majority of algorithms to date have been based on a second-quantized representation of the electronic structure…

Quantum Physics · Physics 2013-12-17 Borzu Toloui , Peter J. Love

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 numerically investigate quantum circuit elementary-gate level instantiations of the standard Quantum Phase Estimation (QPE) algorithm for the task of computing the ground-state energy of a quantum magnet; the disordered fully-connected…

Quantum Physics · Physics 2026-03-02 Elijah Pelofske , Stephan Eidenbenz

Since simulating quantum computers requires exponentially more classical resources, efficient algorithms are extremely helpful. We analyze algorithms that create single qubit and specific controlled qubit matrix representations of gates.…

Quantum Physics · Physics 2007-05-23 Eric Hsu

For many quantum systems of interest, the classical computational cost of simulating their time evolution scales exponentially in the system size. At the same time, quantum computers have been shown to allow for simulations of some of these…

Quantum Physics · Physics 2023-01-25 Dorota M. Grabowska , Christopher Kane , Benjamin Nachman , Christian W. Bauer

Perturbation theory is an important technique for reducing computational cost and providing physical insights in simulating quantum systems with classical computers. Here, we provide a quantum algorithm to obtain perturbative energies on…

Quantum Physics · Physics 2023-05-17 Kosuke Mitarai , Kiichiro Toyoizumi , Wataru Mizukami

We present two techniques that can greatly reduce the number of gates required to realize an energy measurement, with application to ground state preparation in quantum simulations. The first technique realizes that to prepare the ground…

Quantum Physics · Physics 2018-08-28 David Poulin , Alexei Kitaev , Damian S. Steiger , Matthew B. Hastings , Matthias Troyer

We consider Hamiltonian simulation using the first order Lie-Trotter product formula under the assumption that the initial state has a high overlap with an energy eigenstate, or a collection of eigenstates in a narrow energy band. This…

Quantum Physics · Physics 2021-02-26 Changhao Yi , Elizabeth Crosson

Ionic pseudopotentials are widely used in classical simulations of materials to model the effective potential due to the nucleus and the core electrons. Modeling fewer electrons explicitly results in a reduction in the number of plane waves…

Nonequilibrium time evolution of large quantum systems is a strong candidate for quantum advantage. Variational quantum algorithms have been put forward for this task, but their quantum optimization routines suffer from trainability and…

Quantum Physics · Physics 2024-07-12 Refik Mansuroglu , Felix Fischer , Michael J. Hartmann

Gauge theories are the most successful theories for describing nature at its fundamental level, but obtaining analytical or numerical solutions often remains a challenge. We propose an experimental quantum simulation scheme to study ground…

The simulation of quantum systems is one of the flagship applications of near-term NISQ (noisy intermediate-scale quantum) computing devices. Efficiently simulating the rich, non-unitary dynamics of open quantum systems remains challenging…

Quantum Physics · Physics 2024-10-14 Colin Burdine , Enrique P. Blair

Sample-based quantum diagonalization (SQD) is an algorithm for hybrid quantum-classical molecular simulation that has been of broad interest for application with noisy intermediate scale quantum (NISQ) devices. However, SQD does not always…

Quantum Physics · Physics 2025-12-05 L. Andrew Wray , Cheng-Ju Lin , Vincent Su , Hrant Gharibyan

The last few years have seen rapid development of applications of quantum computation to quantum field theory. The first algorithms for quantum simulation of scattering have been proposed in the context of scalar and fermionic theories,…

Quantum Physics · Physics 2024-04-18 Matteo Turco , Gonçalo M. Quinta , João Seixas , Yasser Omar

Quantum computers can efficiently simulate highly entangled quantum systems, offering a solution to challenges facing classical simulation of Quantum Field Theories (QFTs). This paper presents an alternative to traditional methods for…

Quantum Physics · Physics 2025-09-03 James Ingoldby , Michael Spannowsky , Timur Sypchenko , Simon Williams

Simulating the real-time dynamics of quantum field theories (QFTs) is one of the most promising applications of quantum simulators. Regularizing a bosonic QFT for quantum simulation purposes typically involves a truncation in Hilbert space…

Quantum Physics · Physics 2025-09-01 Gabriele Calliari , Marco Di Liberto , Hannes Pichler , Torsten V. Zache

An overarching goal in the flourishing field of quantum simulation for high-energy physics is the first-principles study of the microscopic dynamics of scattering processes on a quantum computer. Currently, this is hampered by small system…

Recent work has explored using the stabilizer formalism to classically simulate quantum circuits containing a few non-Clifford gates. The computational cost of such methods is directly related to the notion of stabilizer rank, which for a…

Quantum Physics · Physics 2019-09-04 Sergey Bravyi , Dan Browne , Padraic Calpin , Earl Campbell , David Gosset , Mark Howard