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The exact solution of the Schrodinger equation for atoms, molecules and extended systems continues to be a "Holy Grail" problem for the field of atomic and molecular physics since inception. Recently, breakthroughs have been made in the…

Quantum Physics · Physics 2017-06-02 Rongxin Xia , Teng Bian , Sabre Kais

Quantum computers hold great promise for arriving at exact simulations of nuclear dynamical processes (e.g., scattering and reactions) that are paramount to the study of nuclear matter at the limit of stability and to explaining the…

Quantum chemistry is among the most promising applications of quantum computing, offering the potential to solve complex electronic structure problems more efficiently than classical approaches. A critical component of any quantum algorithm…

Quantum Physics · Physics 2025-06-02 Smik Patel , Praveen Jayakumar , Tzu-Ching Yen , Artur F. Izmaylov

Quantum algorithms have the potential to provide exponential speedups over some of the best known classical algorithms. These speedups may enable quantum devices to solve currently intractable problems such as those in the fields of…

Quantum Physics · Physics 2018-12-13 Ciarán Ryan-Anderson

Our understanding of the physics of biological molecules, such as proteins and DNA, is limited because the approximations we usually apply to model inert materials are not in general applicable to soft, chemically inhomogeneous systems. The…

Quantum Physics · Physics 2010-07-13 Sarah Harris , Vivien M. Kendon

Quantum computers promise to surpass the most powerful classical supercomputers when it comes to solving many critically important practical problems, such as pharmaceutical and fertilizer design, supply chain and traffic optimization, or…

Computation · Statistics 2022-04-05 Anna Lopatnikova , Minh-Ngoc Tran , Scott A. Sisson

In the current noisy intermediate scale quantum era of quantum computation, available hardware is severely limited by both qubit count and noise levels, precluding the application of many current hybrid quantum-classical algorithms to…

Quantum Physics · Physics 2024-03-05 Maria-Andreea Filip

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 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…

Reducing the complexity of quantum algorithms to treat quantum chemistry problems is essential to demonstrate an eventual quantum advantage of Noisy-Intermediate Scale Quantum (NISQ) devices over their classical counterpart. Significant…

Quantum Physics · Physics 2022-12-07 Emiel Koridon , Saad Yalouz , Bruno Senjean , Francesco Buda , Thomas E. O'Brien , Lucas Visscher

A quantum computer directly manipulates information stored in the state of quantum mechanical systems. The available operations have many attractive features but also underly severe restrictions, which complicate the design of quantum…

Quantum Physics · Physics 2015-06-26 Sos S. Agaian , Andreas Klappenecker

The fundamental question of how to best simulate quantum systems using conventional computational resources lies at the forefront of condensed matter and quantum computation. It impacts both our understanding of quantum materials and our…

Strongly Correlated Electrons · Physics 2021-09-29 Juan Carrasquilla , Di Luo , Felipe Pérez , Ashley Milsted , Bryan K. Clark , Maksims Volkovs , Leandro Aolita

Particles produced in high energy collisions that are charged under one of the fundamental forces will radiate proportionally to their charge, such as photon radiation from electrons in quantum electrodynamics. At sufficiently high…

High Energy Physics - Phenomenology · Physics 2021-02-17 Christian W. Bauer , Wibe A. de Jong , Benjamin Nachman , Davide Provasoli

The calculation time for the energy of atoms and molecules scales exponentially with system size on a classical computer but polynomially using quantum algorithms. We demonstrate that such algorithms can be applied to problems of chemical…

Quantum Physics · Physics 2007-05-23 Alán Aspuru-Guzik , Anthony D. Dutoi , Peter J. Love , Martin Head-Gordon

Quantum simulation is a leading candidate for demonstrating practical quantum advantage over classical computation, as it is believed to provide exponentially more compute power than any classical system. It offers new means of studying the…

Quantum Physics · Physics 2026-01-23 Maja Franz , Lukas Schmidbauer , Joshua Ammermann , Ina Schaefer , Wolfgang Mauerer

Quantum dynamics, typically expressed in the form of a time-dependent Schr\"odinger equation with a Hermitian Hamiltonian, is a natural application for quantum computing. However, when simulating quantum dynamics that involves the emission…

Quantum Physics · Physics 2023-04-04 Shi Jin , Nana Liu , Xiantao Li , Yue Yu

Simulating quantum mechanics is known to be a difficult computational problem, especially when dealing with large systems. However, this difficulty may be overcome by using some controllable quantum system to study another less controllable…

Quantum Physics · Physics 2014-03-14 I. M. Georgescu , S. Ashhab , Franco Nori

Digital quantum simulation on quantum systems require algorithms that can be implemented using finite quantum resources. Recent studies have demonstrated digital quantum simulation of open quantum systems on Noisy Intermediate-Scale Quantum…

Quantum Physics · Physics 2020-12-15 Pragati Gupta , C. M. Chandrashekar

In recent years, there has been tremendous progress in the development of quantum computing hardware, algorithms and services leading to the expectation that in the near future quantum computers will be capable of performing simulations for…

Simulating quantum many-body systems is a highly demanding task since the required resources grow exponentially with the dimension of the system. In the case of fermionic systems, this is even harder since nonlocal interactions emerge due…