Article
Multidisciplinary Sciences
J. Coonjobeeharry, K. E. Spinlove, C. Sanz Sanz, M. Sapunar, N. Doslic, G. A. Worth
Summary: This article compares three methods for non-adiabatic dynamics, highlighting their capabilities and applications, and presents a novel approach for calculating adiabatic populations.
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
(2022)
Article
Chemistry, Physical
Evaristo Villaseco Arribas, Patricia Vindel-Zandbergen, Saswata Roy, Neepa T. Maitra
Summary: The development of new mixed quantum-classical methods for simulating coupled electron-ion dynamics has been achieved through the use of the exact factorization approach. The performance of these methods in dynamics involving more than two electronic states is compared, and different factors such as the use of coupled versus auxiliary trajectories and the approximation of electron-nuclear correlation terms are analyzed. The relevance of conditions such as zero population transfer and total energy conservation is also investigated. The use of coupled electron-ion dynamics via the exact factorization approach leads to improved mixed quantum classical methods.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Mechanics
K. R. Protsenko, V. G. Baidakov
Summary: Based on molecular dynamics simulations of a stretched Lennard-Jones liquid near the triple point temperature, the possibilities and limitations of classical nucleation theory approximations were analyzed. The nucleation rate, critical bubble radii and work of formation, and nucleus diffusion coefficient were calculated for systems with 5 x 10( 3) to 3 x 10( 5) particles using methods such as direct forward flux sampling, seeding, and well-tempered metadynamics. Surface free energy, sizes, and shapes of critical bubbles were determined from the obtained data. The asymptotic laws of nucleation parameters behavior near the spinodal of a stretched liquid are discussed.
Article
Chemistry, Physical
Aarti Sindhu, Amber Jain
Summary: In this study, the surface hopping method was benchmarked for capturing nuclear quantum effects in the spin-Boson model in the deep tunneling regime. A simple kinetic model was proposed to partially include nuclear quantum effects within Marcus theory, and the success of surface hopping method in capturing nuclear quantum effects was demonstrated with accurate treatment of decoherence and velocity reversal.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2021)
Article
Multidisciplinary Sciences
Piotr Frackiewicz
Summary: The aim of this paper is to examine the concept of simple Kantian equilibrium in 2x2 symmetric games and their quantum counterparts. By deriving a formula to determine reasonable strategies in the general form of the games, we compare the payoff results for classical and quantum ways of playing the game. The study shows that using quantum strategies in a large portion of 2x2 symmetric games with higher arithmetic mean of off-diagonal payoffs leads to more beneficial Kantian equilibria, resulting in higher payoffs for both players.
Review
Chemistry, Multidisciplinary
Zhe Liu, Alessandro Sergi, Gabriel Hanna
Summary: Mixed quantum-classical dynamics is an efficient method for simulating the dynamics of quantum subsystems coupled to many-body environments. The recently developed DECIDE method has shown high accuracy and low computational cost, but has mainly been applied using subsystem and adiabatic energy bases. This review provides a step-by-step derivation of the DECIDE approach in a quantum harmonic oscillator position basis for a hydrogen bond model, demonstrating energy conservation and calculating various quantities of interest. Limitations of incomplete basis representation are also discussed.
APPLIED SCIENCES-BASEL
(2022)
Article
Physics, Multidisciplinary
Francois Gay-Balmaz, Cesare Tronci
Summary: A fully Hamiltonian theory of quantum-classical spin dynamics is proposed, which ensures a series of consistency properties and satisfies Heisenberg's uncertainty principle. The theory models the interaction between a classical Bloch vector and a quantum spin observable, and can be extended to systems with multiple spins and orbital degrees of freedom.
JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL
(2023)
Article
Physics, Multidisciplinary
Muhammed T. Jabir, Nilesh Vyas, Colin Benjamin
Summary: The authors challenge the view that equilibrium solutions in quantum games are already present in classical games, by presenting unique random strategies in a specific quantum game. They provide an analytical solution to the game and compare quantum strategies to correlated strategies, finding differences in reaching Nash equilibrium.
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
(2021)
Article
Physics, Multidisciplinary
Marek Szopa
Summary: This study examines the Nash equilibria and correlated equilibria of classical and quantum games in terms of their Pareto efficiency. While correlated equilibria generally enhance Nash equilibria, they rely on a trusted correlation device that can be manipulated. The quantum extension of these games shows that Nash equilibria in quantum mixed Pauli strategies are closer to Pareto optimal outcomes than their classical counterparts, with an exploration of the relationship between mixed Pauli strategies equilibria and correlated equilibria.
Article
Operations Research & Management Science
Lonnie Turpin
Summary: In a quantum bimatrix game, each player knows the initial quantum state α and sends an identical mixed strategy for measuring the final state ω to a judge. The strategies are unitary operations associated with payoffs in matrix A, which are contained within an arbitrary affine space. Assuming player one adopts a strategy producing a Nash equilibrium and there exists a scalar q such that q · 1 equals the dimension of the game's underlying space, the unique equilibrium payoff is given by the reciprocal of (q · 1)(-1) when Aq = 1.
JOURNAL OF OPTIMIZATION THEORY AND APPLICATIONS
(2023)
Article
Biochemistry & Molecular Biology
Jianzheng Ma, Di Zhao, Chenwei Jiang, Zhenggang Lan, Fuli Li
Summary: A two-stroke light-driven molecular rotary motor capable of performing unidirectional and repetitive rotation by only two photoisomerization steps has been proposed. The effect of temperature on the nonadiabatic dynamics of the motor and its impact on the unidirectionality of rotation have been systematically studied.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Physics, Multidisciplinary
Gang-hui Zeng, Yang Zhang, Aleksey N. Bolgar, Dong He, Bin Li, Xin-hui Ruan, Lan Zhou, Le-Mang Kuang, Oleg Astafiev, Yu-Xi Liu, Z. H. Peng
Summary: In this experiment, a circuit quantum acoustodynamics system was studied with a superconducting artificial atom coupled to both a 2D surface acoustic wave resonator and a 1D microwave transmission line. Strong coupling between the artificial atom and the acoustic wave resonator was confirmed, and the impact of temperature on the system was demonstrated. The spectrum structure of the Rabi splitting changed under specific experimental conditions and gradually disappeared with increasing environmental temperature. Additionally, a continuous quantum-to-classical crossover was observed around a crossover temperature T(c).
NEW JOURNAL OF PHYSICS
(2021)
Article
Quantum Science & Technology
Toru Aonishi, Kazushi Mimura, Masato Okada, Yoshihisa Yamamoto
Summary: A quantum-classical hybrid system is proposed for optimization in L0-regularization-based compressed sensing, potentially outperforming L1-regularization-based compressed sensing. The system utilizes a coherent Ising machine as the quantum machine and shows promising theoretical performance close to the limit of compressed sensing, surpassing L1-RBCS in estimation accuracy in practical applications such as magnetic resonance imaging data analysis.
QUANTUM SCIENCE AND TECHNOLOGY
(2022)
Article
Biochemistry & Molecular Biology
Jianzheng Ma, Sujie Yang, Di Zhao, Chenwei Jiang, Zhenggang Lan, Fuli Li
Summary: The working cycle of conventional light-driven molecular rotary motors usually involves four steps, including two photoisomerization steps and two thermal helix inversion steps. This study proposes a three-stroke molecular motor that can achieve unidirectional rotation at room temperature. The photoisomerization processes of this motor exhibit high quantum yields and ultrafast reaction rates.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Quantum Science & Technology
H. Hajihoseinlou, B. Ahansaz, F. Eghbalifam, M. Behboudnia
Summary: This study investigates the dynamical behavior of quantum correlations between two identical atoms driven by classical fields and placed in two independent non-Markovian environments. It reveals that the global quantum discord and local quantum uncertainty, as measures of quantum correlations, can be controlled and preserved by manipulating the strength of the classical driving. Further, it demonstrates that the decay process of quantum correlations can be slowed down by adjusting the central frequency of the reservoir.
QUANTUM INFORMATION PROCESSING
(2023)
