Article
Materials Science, Multidisciplinary
Nikhil Seshadri, Michael Galperin
Summary: By considering von Neumann expression and utilizing nonequilibrium Green's function techniques, the paper derived bath and energy resolved expressions for entropy, entropy production, and information flows. The formulation of these expressions in terms of system degrees freedom is convenient for simulating thermodynamic characteristics of open nonequilibrium quantum systems. Standard NEGF is used for noninteracting systems while Hubbard NEGF is employed for interacting systems in numerical simulations within generic junction models.
Article
Physics, Multidisciplinary
Archak Purkayastha, Madhumita Saha, Bijay Kumar Agarwalla
Summary: This study reveals that a one-dimensional ordered fermionic lattice system connected to two baths with different chemical potentials at zero temperature exhibits two phases of subdiffusive conductance scaling with system size, unlike the perfectly ballistic transport in the isolated system. Interestingly, there are two chemical-potential-driven subdiffusive to ballistic phase transitions at zero temperature in the open system scenario.
PHYSICAL REVIEW LETTERS
(2021)
Article
Chemistry, Physical
Davis M. Welakuh, Johannes Flick, Michael Ruggenthaler, Heiko Appel, Angel Rubio
Summary: Recent progress in quantum-optical experiments enables the modification and control of chemical and physical properties of atoms, molecules, and solids by strongly coupling to the quantized field. This study extends the Sternheimer approach to efficiently compute excited-state properties of strongly coupled light-matter systems within the framework of quantum electrodynamical density-functional theory. The method captures the features of strong light-matter coupling and provides an alternative approach for computing excited-state properties of large molecular systems interacting with the quantized electromagnetic field.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2022)
Article
Chemistry, Physical
Ruth H. Tichauer, Dmitry Morozov, Ilia Sokolovskii, J. Jussi Toppari, Gerrit Groenhof
Summary: This study uses multiscale molecular dynamics simulations to investigate the relaxation process of polaritons in tetracene molecules strongly coupled to confined light modes. The results indicate that the relaxation involves vibrationally assisted scattering (VAS) and radiative pumping (RP), both driven by the same molecular vibrations through nonadiabatic coupling between dark states and polaritonic states.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Review
Optics
Fei Ge, Xiao Han, Jialiang Xu
Summary: Strong coupling is a unique light-matter interaction regime that results in the adjustment of energy states of molecules and materials, leading to fascinating chemical and physical properties with advanced applications. Recently, strong coupling has shown profound impacts on the nonlinear optical properties of molecular materials.
LASER & PHOTONICS REVIEWS
(2021)
Article
Chemistry, Physical
Tyler Chen, Yu-Chen Cheng
Summary: In this paper, a numerical algorithm is introduced for approximating the equilibrium-reduced density matrix and the effective Hamiltonian for a system of strongly coupled system spins and bath spins. The algorithm is a generalization of typicality algorithms and uses the tendency of the reduced system density to concentrate about the corresponding thermodynamic averaged density. The accuracy of the algorithm is validated through theoretical error analysis and numerical experiments, and its potential for applications such as studying quantum phase transitions and entanglement entropy for long range interaction systems is demonstrated.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Physics, Multidisciplinary
Yilun Xu, Daoquan Zhu, Feng-Xiao Sun, Qiongyi He, Wei Zhang
Summary: In this study, we develop analytic solutions beyond the rotation wave approximation and propose a novel scheme for high-fidelity quantum state transfer and entanglement preparation. The scheme is robust against noise and imperfections, and successfully prepares Bell states and W-type states in the shortest possible time.
NEW JOURNAL OF PHYSICS
(2023)
Article
Physics, Multidisciplinary
Johannes Flick
Summary: Recent experimental advances in strongly coupled light-matter systems have led to the development of general ab initio methods for describing interacting light-matter systems from first principles. This Letter introduces a new gradient-based density functional for quantum-electrodynamical density-functional theory (QEDFT), derived from the adiabatic-connection fluctuation-dissipation theorem. The approximation is benchmarked on small systems in optical cavities and demonstrates relatively low computational costs for larger systems, effectively combining quantum optics with large-scale electronic structure theory.
PHYSICAL REVIEW LETTERS
(2022)
Article
Multidisciplinary Sciences
Xiaomeng Liu, J. I. A. Li, Kenji Watanabe, Takashi Taniguchi, James Hone, Bertrand Halperin, Philip Kim, Cory R. Dean
Summary: We have studied the transition between two bosonic quantum condensate phases in a solid-state system using magneto-exciton condensates in graphene double layers.
Article
Multidisciplinary Sciences
B. Ahmadi, S. Salimi, A. S. Khorashad
Summary: This paper investigates the association between work and heat in a quantum thermodynamic process with a time-independent Hamiltonian. New definitions of heat and work based on entropy are introduced, and a formalism for the first and second laws of thermodynamics is established. The change in energy accompanied by a change in entropy is identified as heat, while energy changes without entropy changes are defined as work. It is found that quantum coherence prevents all the energy exchanged between two quantum systems from being in the form of heat. Several examples are discussed, and irreversibility is examined using the entropy-based formalism of quantum thermodynamics.
SCIENTIFIC REPORTS
(2023)
Article
Optics
I. V. Vovcenko, V. Yu Shishkov, E. S. Andrianov
Summary: Interaction with dephasing reservoirs can contribute to the creation of a long-lived entangled state, with the weight of the subradiant state approaching unity if certain conditions are met. This result opens the door for the creation of entangled states with extended lifetimes, paving the way for practical implementation of quantum computations.
Article
Physics, Multidisciplinary
Nicolas Bergmann, Michael Galperin
Summary: In this study, a non-equilibrium Green's function perspective was used to explore thermodynamic formulations for open quantum systems strongly coupled to baths. A scattering approach and a consideration of thermodynamics of a system strongly coupled to its baths were compared. It was argued that the latter approach could lead to a thermodynamic formulation consistent with a dynamic quantum transport description.
EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS
(2021)
Article
Physics, Multidisciplinary
Naoto Shiraishi, Keiji Saito
Summary: This study investigates the speed limit on state transformation in quantum systems coupled to general environments, deriving a general speed-limit inequality applicable to various open systems. The inequality is applied to thermalization phenomena in isolated quantum systems and quantum cyclic engines, providing multiple inequalities to estimate equilibration time. Additionally, a rigorous constraint on state change in cyclic heat engines is derived, with Planck constant playing a fundamental role in the cycle.
PHYSICAL REVIEW RESEARCH
(2021)
Article
Physics, Multidisciplinary
Zhu-Hua Wang, Wen-Cheng Huang
Summary: In this theoretical study, the generation of local heat originating from electron energy exchange in a quantum dot coupled to a phonon bath is investigated. It is found that in addition to negative differential heat generation in the Coulomb blockade regime, another effect occurs near the Fermi level of the leads due to dot-MBS coupling. The direct hybridization between MBSs reduces their impact on electronic transport processes and eliminates the dual negative differential heat generation effect. This study demonstrates the efficiency of the dual negative differential heat generation effect in inferring the presence of MBSs and potentially overcoming limitations of detection schemes based on tunneling spectroscopy technique.
FRONTIERS IN PHYSICS
(2021)
Article
Multidisciplinary Sciences
Jacqueline Bloch, Andrea Cavalleri, Victor Galitski, Mohammad Hafezi, Angel Rubio
Summary: A goal of modern condensed-matter physics is to search for states of matter with emergent properties and desirable functionalities. By controlling light-matter interactions, it is possible to manipulate and synthesize strongly correlated quantum matter, leading to phenomena like photon-mediated superconductivity, cavity fractional quantum Hall physics, and optically driven topological phenomena.
Article
Chemistry, Physical
Monosij Mondal, Maicol A. Ochoa, Maxim Sukharev, Abraham Nitzan
Summary: The interaction between excited states of a molecule and excited states of a metal nanostructure leads to hybrid states with modified optical properties. The condition for strong coupling between plasmons and molecules can be easily satisfied if the only contributions to the spectral width are associated with the radiative and nonradiative relaxation of a single molecular vibronic transition. However, the observation of Rabi splitting becomes more challenging when the molecule-metal surface distance is varied due to the spectral shift associated with the same molecule-plasmon interaction.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Shuntaro Amano, Massimiliano Esposito, Elisabeth Kreidt, David A. Leigh, Emanuele Penocchio, Benjamin M. W. Roberts
Summary: This article discusses the design principles of chemically fueled autonomous molecular machines, focusing on kinetic asymmetry and the Brownian ratchet mechanism. The authors illustrate how these principles can be applied to molecular design using synthetic rotary motors and kinesin walkers as examples.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Physics, Multidisciplinary
Nahuel Freitas, Massimiliano Esposito
Summary: This paper proposes an electronic implementation of an autonomous Maxwell's demon that stops working in the deterministic macroscopic limit. However, it is found that if the demon is supplied with enough power, it can continue to operate, albeit with a decreased thermodynamic efficiency. This suggests that novel strategies in nonequilibrium settings may bring nontrivial effects observed at microscopic scales to the macroscale.
PHYSICAL REVIEW LETTERS
(2022)
Article
Multidisciplinary Sciences
Jose Nahuel Freitas, Massimiliano Esposito
Summary: Investigates a central problem in non-equilibrium statistical physics, which is how to extend the Gibbs distribution to non-equilibrium steady states. By considering open systems described by stochastic dynamics, the self-information of microstates is related to macroscopic entropy production, leading to a new version of the second law of thermodynamics that links deterministic relaxation and non-equilibrium fluctuations.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Shesha Gopal Marehalli Srinivas, Matteo Polettini, Massimiliano Esposito, Francesco Avanzini
Summary: This paper investigates the relationship between the chemical master equation and its dual equation for stochastic chemical processes. By studying the topological properties of the chemical reaction network, it is determined whether they satisfy the law of mass-action. It is proven that only networks with zero deficiency can satisfy the law of mass-action, while other networks cannot invert the direction of their steady-state reactions by controlling the kinetic constants. Therefore, the deficiency of the network determines the non-invertibility of the chemical dynamics. Furthermore, it is shown that catalytic chemical networks do not have zero deficiency when they are driven out of equilibrium due to species exchange with the environment.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Physics, Multidisciplinary
Krzysztof Ptaszynski, Massimiliano Esposito
Summary: There is controversy about whether the coherent superposition of occupied states of two fermionic modes should be regarded as entangled, and whether the quantum correlations it possesses are accessible and usable as a resource. The superselection rule has been cited as a reason for why this entanglement cannot be accessed through local operations on individual modes. However, this study demonstrates that entanglement of a two-mode fermionic state can be utilized as a genuine quantum resource in open-system thermodynamic processes, enabling tasks that are forbidden for separable states. Quantum thermodynamics can thus provide insight into the nature of fermionic entanglement and its operational meaning.
PHYSICAL REVIEW LETTERS
(2023)
Article
Physics, Multidisciplinary
Jorge Tabanera-Bravo, Juan M. R. Parrondo, Massimiliano Esposito, Felipe Barra
Summary: We introduce a class of quantum maps that can thermalize a system in collisional reservoirs when combined with a dephasing mechanism. These maps describe collision effects, inducing transitions obeying detailed balance and creating coherences that prevent thermalization. By combining these maps with random unitary evolution causing dephasing, we find that a low collision rate leads to thermalization in the system. This scenario is suitable for modeling equilibrium collisional reservoirs, and we provide a thorough characterization of the resulting thermalization process.
PHYSICAL REVIEW LETTERS
(2023)
Article
Quantum Science & Technology
Krzysztof Ptaszynski, Massimiliano Esposito
Summary: The entropy production in fermionic systems is mostly quantum due to the restriction on allowed measurements imposed by the parity superselection rule. In contrast, bosonic systems allow for a larger amount of classical correlations to be accessed through Gaussian measurements. This distinction suggests a quantum-to-classical transition in the microscopic formulation of entropy production.
Article
Physics, Fluids & Plasmas
Krzysztof Ptaszynski, Massimiliano Esposito
Summary: This study investigates the entropy production of an open system coupled to a reservoir initialized in a canonical state. The entropy production is found to be a sum of the mutual information between the system and the bath, as well as a measure of the displacement of the environment from equilibrium. However, when the reservoir is initialized in a microcanonical or certain pure state, the information-theoretic contributions to the entropy production depend on the initial state of the reservoir.
Article
Physics, Fluids & Plasmas
Nahuel Freitas, Massimiliano Esposito
Summary: A CMOS-based implementation of an autonomous Maxwell's demon was proposed to demonstrate its functionality at macroscopic scales. The nonautonomous version of the model was analyzed analytically, followed by a study of system-demon information flows in generic bipartite setups. It was found that the information flow is an intensive quantity and scaling the thermodynamic forces can prevent the demon from stopping above a finite scale.
Article
Physics, Fluids & Plasmas
Maicol A. Ochoa
Summary: We investigate the energy distribution and quantum thermodynamics in periodically-driven polaritonic systems at room temperature. We study the energy reorganization between two systems and their interaction as a function of coupling strength, driving force, and detuning. By deriving the quantum master equation and calculating the long-time evolution, we obtain the equilibrium state of the system.
Article
Physics, Fluids & Plasmas
Matteo Polettini, Gianmaria Falasco, Massimiliano Esposito
Summary: Several recent studies have found inequalities that relate the precision of a current to a measure of dissipation in a system. We prove similar bounds for cycle currents, which are stricter than previous ones and applicable even in far from equilibrium situations. Using a simple model, we illustrate our results and discuss the implications of shifting attention from transition to cycle observables.
Article
Materials Science, Multidisciplinary
Ashwin Gopal, Massimiliano Esposito, Nahuel Freitas
Summary: This study develops efficient methods to compute voltage and current fluctuations in nanoscale transistors for low-power applications. Traditional approaches fail to capture rare fluctuations, but a correct and thermodynamically consistent method is achieved by describing single-electron transfers as Poisson jump processes. In the macroscopic limit, thermal fluctuations satisfy a large deviations principle, which is remarkably precise even for settings involving only a few tens of electrons. The findings are illustrated through a low-power CMOS inverter, revealing interesting features.
Article
Physics, Fluids & Plasmas
Krzysztof Ptaszynski, Massimiliano Esposito
Summary: Thermalization in open systems involves the change of the von Neumann entropy of the environment, referred to as post-thermalization, which can be qualitatively explained as a conversion of the initial correlation between the system and the bath into the correlation within the degrees of freedom in the environment. However, this conversion can be suppressed by non-Markovian dynamics or the presence of interactions.
Article
Quantum Science & Technology
Samuel L. Jacob, Massimiliano Esposito, Juan M. R. Parrondo, Felipe Barra
Summary: In a collision between a moving particle and a fixed system with internal degrees of freedom, the motion of the particle can act as a work source for the joint internal system, resulting in energy changes that preserve entropy. This opens up interesting perspectives for quantum thermodynamics formulations within scattering theory.
