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Multi-dimensional direct numerical simulation (DNS) of the Schr\"odinger equation is needed for design and analysis of quantum nanostructures that offer numerous applications in biology, medicine, materials, electronic/photonic devices,…

Computational Engineering, Finance, and Science · Computer Science 2023-04-25 Martin Veresko , Ming-Cheng Cheng

While historically many quantum mechanical simulations of molecular dynamics have relied on the Born-Oppenheimer approximation to separate electronic and nuclear behavior, recently a lot of interest has arisen towards quantum effects in…

Quantum Physics · Physics 2018-06-06 Simone Sturniolo

In the Bloch sphere picture, one finds the coefficients for expanding a single-qubit density operator in terms of the identity and Pauli matrices. A generalization to $n$ qubits via tensor products represents a density operator by a real…

Quantum Physics · Physics 2022-02-14 Qunsheng Huang , Christian B. Mendl

Consumption of magic states promotes the stabilizer model of computation to universal quantum computation. Here, we propose three different classical algorithms for simulating such universal quantum circuits, and characterize them by…

Quantum Physics · Physics 2021-03-23 James R. Seddon , Bartosz Regula , Hakop Pashayan , Yingkai Ouyang , Earl T. Campbell

A new discrete model for energy relaxation of a quantum particle is described via a projection operator, causing the wave function collapse. Power laws for the evolution of the particle coordinate and momentum dispersions are derived. A new…

Quantum Physics · Physics 2019-02-04 R. Tsekov

The fundamental problem faced in quantum chemistry is the calculation of molecular properties, which are of practical importance in fields ranging from materials science to biochemistry. Within chemical precision, the total energy of a…

Physical systems, characterized by an ensemble of interacting elementary constituents, can be represented and studied by different algebras of observables or operators. For example, a fully polarized electronic system can be investigated by…

Quantum Physics · Physics 2009-11-07 R. Somma , G. Ortiz , J. E. Gubernatis , E. Knill , R. Laflamme

Stochastic processes underlie a vast range of natural and social phenomena. Some processes such as atomic decay feature intrinsic randomness, whereas other complex processes, e.g. traffic congestion, are effectively probabilistic because we…

High-energy particle collisions can convert energy into matter through the inelastic production of new particles. Quantum computers are an ideal platform for simulating the out-of-equilibrium dynamics of collisions and the formation of…

Quantum Physics · Physics 2025-10-31 Roland C. Farrell , Nikita A. Zemlevskiy , Marc Illa , John Preskill

Increasingly sophisticated programmable quantum simulators and quantum computers are opening unprecedented opportunities for exploring and exploiting the properties of highly entangled complex quantum systems. The complexity of large…

Quantum nanosystems involve the coupled dynamics of fermions or bosons across multiple scales in space and time. Examples include quantum dots, superconducting or magnetic nanoparticles, molecular wires, and graphene nanoribbons. The number…

Mesoscale and Nanoscale Physics · Physics 2011-11-01 D. Balamurugan , Peter. J. Ortoleva

Nuclear Magnetic Resonance (NMR) has provided a valuable experimental testbed for quantum information processing (QIP). Here, we briefly review the use of nuclear spins as qubits, and discuss the current status of NMR-QIP. Advances in the…

We present a comprehensive study of quantum simulation methods and quantum simulators for classical computers. We first study an exhaustive set of 150+ simulators and quantum libraries. Then, we short-list the simulators that are actively…

Quantum Physics · Physics 2023-11-29 Kieran Young , Marcus Scese , Ali Ebnenasir

We discuss how to simulate simple quantum logic operations with a large number of qubits. These simulations are needed for experimental testing of scalable solid-state quantum computers. Quantum logic for remote qubits is simulated in a…

Quantum Physics · Physics 2007-05-23 G. P. Berman , G. D. Doolen , D. I. Kamenev , V. I. Tsifrinovich

Shor's factoring algorithm illustrates the potential power of quantum computation. Here we present and numerically investigate a proposal for a compiled version of such an algorithm based on a quantum-wire network exploiting the…

Quantum Physics · Physics 2011-01-14 Fabrizio Buscemi

We examine the suppression of quantum beating in a one dimensional non- linear double well potential, made up of two focusing nonlinear point interactions. The investigation of the Schr\"odinger dynamics is reduced to the study of a system…

Mathematical Physics · Physics 2016-10-04 Raffaele Carlone , Rodolfo Figari , Claudia Negulescu

Quantum computers hold promise to improve the efficiency of quantum simulations of materials and to enable the investigation of systems and properties more complex than tractable at present on classical architectures. Here, we discuss…

Quantum Physics · Physics 2022-05-03 Christian Vorwerk , Nan Sheng , Marco Govoni , Benchen Huang , Giulia Galli

Quantum simulation is of great importance in quantum information science. Here, we report an experimental quantum channel simulator imbued with an algorithm for imitating the behavior of a general class of quantum systems. The reported…

We present an approach to simulate the Schr\"odinger equation through continuous time quantum walks. The CTQW-based simulation applies unitary evolution driven by a quantum walk to generate probability amplitude distributions at various…

Quantum Physics · Physics 2025-09-16 Rachana Soni , Navneet Pratap Singh

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
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