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The theoretical investigation of non-adiabatic processes is hampered by the complexity of the coupled electron-nuclear dynamics beyond the Born-Oppenheimer approximation. Classically, the simulation of such reactions is limited by the…

Quantum Physics · Physics 2021-01-06 Pauline J. Ollitrault , Guglielmo Mazzola , Ivano Tavernelli

Digital quantum computers have the potential to simulate complex quantum systems. The spin-boson model is one of such systems, used in disparate physical domains. Importantly, in a number of setups, the spin-boson model is open, i.e. the…

Quantum Physics · Physics 2022-12-21 Andreas Burger , Leong Chuan Kwek , Dario Poletti

This paper, part of a Roadmap article, provides an account of the status and the current challenges in the area of nuclear quantum dynamics simulations, and presents advances in theory and computational techniques to address these…

Chemical Physics · Physics 2023-02-06 Sharon Hammes-Schiffer , Nancy Makri , Mariana Rossi

Recently developed quantum algorithms suggest that quantum computers can solve certain problems and perform certain tasks more efficiently than conventional computers. Among other reasons, this is due to the possibility of creating…

Quantum Physics · Physics 2007-05-23 Rolando D. Somma

A universal quantum simulator would enable efficient simulation of quantum dynamics by implementing quantum-simulation algorithms on a quantum computer. Specifically the quantum simulator would efficiently generate qubit-string states that…

Quantum Physics · Physics 2013-07-08 Barry C. Sanders

Based on our earlier works [Phys. Rev. B 75, 195127 (2007) & J. Chem. Phys. 128, 234703 (2008)], we propose a formally exact and numerically convenient approach to simulate time-dependent quantum transport from first-principles. The…

Chemical Physics · Physics 2015-05-18 Xiao Zheng , GuanHua Chen , Yan Mo , SiuKong Koo , Heng Tian , ChiYung Yam , YiJing Yan

A dynamical quantum model assigns an eigenstate to a specified observable even when no measurement is made, and gives a stochastic evolution rule for that eigenstate. Such a model yields a distribution over classical histories of a quantum…

Quantum Physics · Physics 2007-05-23 Scott Aaronson

We perform a quantum simulation of the Ising model with a transverse field using a collection of three trapped atomic ion spins. By adiabatically manipulating the Hamiltonian, we directly probe the ground state for a wide range of fields…

Quantum Physics · Physics 2011-12-15 E. E. Edwards , S. Korenblit , K. Kim , R. Islam , M. -S. Chang , J. K. Freericks , G. -D. Lin , L. -M. Duan , C. Monroe

A quantum simulator is a device engineered to reproduce the properties of an ideal quantum model. It allows the study of quantum systems that cannot be efficiently simulated on classical computers. While a universal quantum computer is also…

Quantum Physics · Physics 2011-12-16 J. Casanova , C. Sabin , J. Leon , I. L. Egusquiza , R. Gerritsma , C. F. Roos , J. J. Garcia-Ripoll , E. Solano

A quantum simulator is a restricted class of quantum computer that controls the interactions between quantum bits in a way that can be mapped to certain difficult quantum many-body problems. As more control is exerted over larger numbers of…

Quantum Physics · Physics 2018-02-07 J. Zhang , G. Pagano , P. W. Hess , A. Kyprianidis , P. Becker , H. Kaplan , A. V. Gorshkov , Z. -X. Gong , C. Monroe

The quantum approximate optimisation algorithm was proposed as a heuristic method for solving combinatorial optimisation problems on near-term quantum computers and may be among the first algorithms to perform useful computations in the…

Quantum Physics · Physics 2022-11-10 David Headley , Thorge Müller , Ana Martin , Enrique Solano , Mikel Sanz , Frank K. Wilhelm

Numerical simulation is an important method for verifying the quantum circuits used to simulate low-energy nuclear states. However, real-world applications of quantum computing for nuclear theory often generate deep quantum circuits that…

Quantum Physics · Physics 2024-06-06 Ang Li , Alessandro Baroni , Ionel Stetcu , Travis S. Humble

Quantum computing is presently undergoing rapid development to achieve a significant speedup promised in certain applications. Nonetheless, scaling quantum computers remains a formidable engineering challenge, prompting exploration of…

The molecular energies of chemical systems have been successfully calculated on quantum computers, however, more attention has been paid to the dynamic process of chemical reactions in practical application, especially in catalyst design,…

Quantum Physics · Physics 2023-03-28 Qiankun Gong , Qingmin Man , Ye Li , Menghan Dou , Qingchun Wang , Yu-Chun Wu , Guo-Ping Guo

Construction of virtual quantum states became possible due to the hypothesis on the nature of quantum states quant-ph/0212139. This study considers a stochastic geometrical background (stochastic gravitational background) generating…

Quantum Physics · Physics 2007-05-23 T. F. Kamalov , Yu. P. Rybakov

We give an outlook on the future of coherence theory and many-body quantum dynamics as experiments develop in the arena of ultra-cold atoms. Novel results on quantum heating of center-of-mass temperature in evaporative cooling and…

Other Condensed Matter · Physics 2017-07-12 P. D. Drummond , P. Deuar , T. G. Vaughan , J. F. Corney

We introduce quantum fluctuations into the simulated annealing process of optimization problems, aiming at faster convergence to the optimal state. Quantum fluctuations cause transitions between states and thus play the same role as thermal…

Statistical Mechanics · Physics 2009-10-31 Tadashi Kadowaki , Hidetoshi Nishimori

The simulation of electronic properties is a pivotal issue in modern electronic structure theory, driving significant efforts over the past decades to develop protocols for computing energy derivatives. In this work, we address this problem…

Simulation of materials at the atomistic level is an important tool in studying microscopic structure and processes. The atomic interactions necessary for the simulation are correctly described by Quantum Mechanics. However, the…

Materials Science · Physics 2015-03-13 Albert P. Bartók

Quantum computing offers the potential to solve certain complex problems, yet, scaling monolithic processors remains a major challenge. Modular and distributed architectures are proposed to build large-scale quantum systems while bringing…

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