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The procedure for simulating the nuclear magnetic resonance spectrum linked to the spin system of a molecule for a certain nucleus entails diagonalizing the associated Hamiltonian matrix. As the dimensions of said matrix grow exponentially…

Quantum Physics · Physics 2024-10-29 Joaquín Ossorio-Castillo , Alexandre Rodríguez-Coello

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

Quantum simulation can beat current classical computers with minimally a few tens of qubits and will likely become the first practical use of a quantum computer. One promising application of quantum simulation is to attack challenging…

Quantum Physics · Physics 2015-05-28 Dawei Lu , Nanyang Xu , Ruixue Xu , Hongwei Chen , Jiangbin Gong , Xinhua Peng , Jiangfeng Du

We propose a quantum algorithm for solving the following problem: given the Hamiltonian of a physical system and one of its eigenvalues, how to obtain the corresponding eigenstate? The algorithm is based on the resonance phenomena. For a…

Quantum Physics · Physics 2016-06-01 Hefeng Wang

Quantum computing, leveraging quantum phenomena like superposition and entanglement, is emerging as a transformative force in computing technology, promising unparalleled computational speed and efficiency crucial for engineering…

Quantum Physics · Physics 2024-08-30 Osama Muhammad Raisuddin , Suvranu De

Within the last decade much progress has been made in the experimental realisation of quantum computing hardware based on a variety of physical systems. Rapid progress has been fuelled by the conviction that sufficiently powerful quantum…

Quantum Physics · Physics 2021-06-01 A. Rossi , P. G. Baity , V. M. Schäfer , M. Weides

Simulating quantum dynamics is one of the most important applications of quantum computers. Traditional approaches for quantum simulation involve preparing the full evolved state of the system and then measuring some physical quantity.…

Quantum Physics · Physics 2025-02-24 Rolando D. Somma , Robbie King , Robin Kothari , Thomas O'Brien , Ryan Babbush

Quantum computing is an emerging technology, promising a paradigm shift in computing, and allowing for speedups in many different problems. However, quantum devices are still in their early stages, most with only a small number qubits. This…

Quantum Physics · Physics 2018-11-09 Adam Kelly

Quantum computers are expected to give major speed-ups for the simulation of quantum systems. In these conference proceedings, we discuss quantum algorithms for the simulation of perturbative Quantum Chromodynamics (QCD) processes. In…

High Energy Physics - Phenomenology · Physics 2023-09-14 Herschel A. Chawdhry , Mathieu Pellen

Quantum chemistry is regarded to be one of the first disciplines that will be revolutionized by quantum computing. Although universal quantum computers of practical scale may be years away, various approaches are currently being pursued to…

Quantum Physics · Physics 2021-01-29 Alexander Teplukhin , Brian K. Kendrick , Sergei Tretiak , Pavel A. Dub

Accurate simulation of dynamical processes in molecules and reactions is among the most challenging problems in quantum chemistry. Quantum computers promise efficient chemical simulation, but the existing quantum algorithms require many…

Solving partial differential equations for extremely large-scale systems within a feasible computation time serves in accelerating engineering developments. Quantum computing algorithms, particularly the Hamiltonian simulations, present a…

Quantum Physics · Physics 2024-09-10 Yuki Sato , Ruho Kondo , Ikko Hamamura , Tamiya Onodera , Naoki Yamamoto

Quantum mechanical problems are among the hardest to simulate and, in some cases, remain intractable even for the most powerful computers. Quantum computing has emerged as a new technological platform to address such challenges, with rapid…

Quantum Physics · Physics 2025-09-01 Alexander Miessen

Accurately predicting response properties of molecules such as the dynamic polarizability and hyperpolarizability using quantum mechanics has been a long-standing challenge with widespread applications in material and drug design. Classical…

Chemical Physics · Physics 2020-09-01 Xiaoxia Cai , Wei-Hai Fang , Heng Fan , Zhendong Li

We report the first electronic structure calculation performed on a quantum computer without exponentially costly precompilation. We use a programmable array of superconducting qubits to compute the energy surface of molecular hydrogen…

Nuclear physics, whose underling theory is described by quantum gauge field coupled with matter, is fundamentally important and yet is formidably challenge for simulation with classical computers. Quantum computing provides a perhaps…

Quantum Physics · Physics 2021-02-08 Dan-Bo Zhang , Hongxi Xing , Hui Yan , Enke Wang , Shi-Liang Zhu

With the rapid development of quantum technology, one of the leading applications is the simulation of chemistry. Interestingly, even before full scale quantum computers are available, quantum computer science has exhibited a remarkable…

Systems of interacting quantum spins show a rich spectrum of quantum phases and display interesting many-body dynamics. Computing characteristics of even small systems on conventional computers poses significant challenges. A quantum…

Basic concepts of quantum theory of information, principles of quantum calculations and the possibility of creation on this basis unique on calculation power and functioning principle device, named quantum computer, are briefly reviewed.…

Quantum Physics · Physics 2007-12-10 Steven Duplij , Illia Shapoval

Quantum simulation is known to be capable of simulating certain dynamical systems in continuous time -- Schrodinger's equations being the most direct and well-known -- more efficiently than classical simulation. Any linear dynamical system…

Quantum Physics · Physics 2025-04-22 Shi Jin , Nana Liu
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