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A new approach is developed to integrate numerically the equations of motion for systems of interacting rigid polyatomic molecules. With the aid of a leapfrog framework, we directly involve principal angular velocities into the integration,…

Computational Physics · Physics 2007-05-23 Igor P. Omelyan

Normal molecular dynamics simulations are usually unable to simulate chemical reactions due to the low probability of forming the transition state. Therefore, enhanced sampling methods are implemented to accelerate the occurrence of…

Chemical Physics · Physics 2022-10-14 Yi Sun , Xu Han , Lijiang Yang

A new approach to simulating warm and hot dense matter that combines density functional theory based calculations of the electronic structure to classical molecular dynamics simulations with pair interaction potentials is presented. The new…

Plasma Physics · Physics 2015-06-22 C. E. Starrett , J. Daligault , D. Saumon

The search for new, application-specific quantum computers designed to outperform any classical computer is driven by the ending of Moore's law and the quantum advantages potentially obtainable. Photonic networks are promising examples,…

Quantum Physics · Physics 2018-04-10 Bogdan Opanchuk , Laura Rosales-Zarate , Margaret D Reid , Peter D Drummond

The computational difficulty of solving fully quantum many-body spin problems is a significant obstacle to understanding the behavior of strongly correlated quantum matter. Experimental ion-trap quantum simulation is a promising approach…

Quantum Physics · Physics 2016-09-28 Philip Richerme

Strongly interacting spins underlie many intriguing phenomena and applications ranging from magnetism to quantum information processing. Interacting spins combined with motion display exotic spin transport phenomena, such as superfluidity…

The interaction between the electric dipole moment of a trapped molecular ion and the configuration of the confined Coulomb crystal couples the orientation of the molecule to its motion. We consider the practical feasibility of harnessing…

Atomic Physics · Physics 2020-09-23 Wesley C. Campbell , Eric R. Hudson

Strong and precisely-controlled interactions between quantum objects are essential for quantum information processing, simulation, and sensing, and for the formation of exotic quantum matter. A well-established paradigm for coupling…

Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these…

Chemical Physics · Physics 2015-06-23 Mariana Rossi , Hanchao Liu , Francesco Paesani , Joel Bowman , Michele Ceriotti

Para-particles are fascinating because they are neither bosons nor fermions. While unlikely to be found in nature, they might represent accurate descriptions of physical phenomena like topological phases of matter. We report the quantum…

Quantum field theories describe a wide variety of fundamental phenomena in physics. However, their study often involves cumbersome numerical simulations. Quantum simulators, on the other hand, may outperform classical computational…

Experimental realizations of a variety of atomic binary Bose-Fermi mixtures have brought opportunities for studying composite quantum systems with different spin-statistics. The binary atomic mixtures can exhibit a structural transition…

Quantum Gases · Physics 2018-03-30 Tom Kim , Chih-Chun Chien

Controllable bosonic systems can provide post-classical computational power with sub-universal quantum computational capability. A network that consists of a number of bosons evolving through beam-splitters and phase-shifters between…

Chemical space which encompasses all stable compounds is unfathomably large and its dimension scales linearly with the number of atoms considered. The success of machine learning methods suggests that many physical quantities exhibit…

Chemical Physics · Physics 2025-07-04 Ali Banjafar , Guido Falk von Rudorff

The path integral formulation of quantum mechanics, i.e., the idea that the evolution of a quantum system is determined as a sum over all the possible trajectories that would take the system from the initial to its final state of its…

Quantum Physics · Physics 2024-06-12 Charles W. Robson , Yaraslau Tamashevich , Tapio T. Rantala , Marco Ornigotti

When addressing spatial biological questions using mathematical models, symmetries within the system are often exploited to simplify the problem by reducing its physical dimension. In a reduced-dimension model molecular movement is…

Quantitative Methods · Quantitative Biology 2025-02-17 Natasha S. Savage

Molecules are the most demanding quantum systems to be simulated by quantum computers because of their complexity and the emergent role of quantum nature. The recent theoretical proposal of Huh et al. (Nature Photon., 9, 615 (2015)) showed…

Quantum Physics · Physics 2018-02-06 Yangchao Shen , Joonsuk Huh , Yao Lu , Junhua Zhang , Kuan Zhang , Shuaining Zhang , Kihwan Kim

We propose to realize quantized discrete kinks with cold trapped ions. We show that long-lived solitonlike configurations are manifested as deformations of the zigzag structure in the linear Paul trap, and are topologically protected in a…

Quantum Physics · Physics 2015-05-14 H. Landa , S. Marcovitch , A. Retzker , M. B. Plenio , B. Reznik

We address ourselves to a class of systems composed of two coupled subsystems without any intra-subsystem interaction: itinerant Fermions and localized Bosons on a lattice. Switching on an interaction between the two subsystems leads to…

Superconductivity · Physics 2009-10-31 T. Domanski , J. Ranninger

We propose the quantum simulation of a fermion and an antifermion field modes interacting via a bosonic field mode, and present a possible implementation with two trapped ions. This quantum platform allows for the scalable add-up of bosonic…

Quantum Physics · Physics 2012-01-04 J. Casanova , L. Lamata , I. L. Egusquiza , R. Gerritsma , C. F. Roos , J. J. Garcia-Ripoll , E. Solano
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