Article
Mathematics, Applied
Sebastian Stark
Summary: This article introduces the concept of standard dissipative continua in a variational setting for isothermal dissipative continuum problems. Using a functional approach allows for a compact and thermodynamically consistent formulation, and enables spatial and temporal discretization necessary for numerical solutions. A novel systematic approach is proposed for the formulation and computational solution of such problems, with examples to demonstrate its capabilities.
Article
Physics, Multidisciplinary
Simon B. Jaeger, Tom Schmit, Giovanna Morigi, Murray J. Holland, Ralf Betzholz
Summary: We present a general approach to derive Lindblad master equations for subsystems coupled to dissipative bosonic modes. We apply this approach to the dissipative Dicke model and successfully predict the Dicke phase transition and quantum metastability. The performance of our formalism is validated by comparing with exact diagonalization and numerical integration results.
PHYSICAL REVIEW LETTERS
(2022)
Article
Optics
Fatkhulla Kh Abdullaev, Sadulla Sh. Tadjimuratov, Abdulaziz A. Abdumalikov
Summary: We studied the dynamics of localized pulses in the complex cubic-quintic Ginzburg-Landau equation with strong nonlinearity management. The generalized complex GL equation, averaged over rapid modulations of the nonlinearity, was derived. Using numerical simulations, we showed the existence of nonlinearity-managed dissipative solitons in the model and obtained the parameter regions for stabilizing exploding solitons.
Article
Chemistry, Physical
Yifan Lai, Eitan Geva
Summary: Quantum master equations provide a general framework for describing electronic dynamics in molecular systems. Off-diagonal QMEs describe electronic dynamics based on second-order perturbation theory, treating off-diagonal coupling terms as small perturbations. Obtaining Schrodinger picture electronic coherences from OD-QMEs is challenging, but crucial for calculating absorption spectra.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Physics, Multidisciplinary
Augusto C. L. Moreira, Celso P. de Melo
Summary: In this study, we demonstrate that the classical master equation (CME) treatment and the elastic scattering (ES) approach yield equivalent results for a system consisting of two states/one level under certain approximations. However, when considering more states and/or levels, the predictions of these two approaches deviate. The CME and ES approaches capture the same physics in the transport process under specific conditions, but their predictions differ in other situations.
Article
Chemistry, Physical
Luis E. Herrera Rodriguez, Alexei A. Kananenka
Summary: The study demonstrates that a deep artificial neural network with convolutional layers can efficiently and accurately predict the long-time dynamics of open quantum systems, offering new possibilities for the research of open quantum systems.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Physics, Multidisciplinary
Augusto C. L. Moreira, Juliana A. B. da Silva
Summary: In this work, we demonstrate that in the non-interacting limit, the classical master equation (CME) with electron transfer rates obtained via Fermi golden rule and the elastic scattering approach are equivalent. This finding provides a theoretical basis for incorporating elastic mechanisms into quantum transport, allowing the description of weak and strong quantum transport regimes within the same theory.
Review
Chemistry, Multidisciplinary
Ruben Esteban, Jeremy J. Baumberg, Javier Aizpurua
Summary: Molecular vibrations are important in micro-/nanoengineering, and Raman scattering can access their information by exploiting the interaction between molecules and photons. Surface-enhanced Raman scattering (SERS) using plasmonic resonances enables the characterization of few-or even single-molecules. The molecular optomechanics framework of SERS provides new possibilities for optomechanical nanodevices.
ACCOUNTS OF CHEMICAL RESEARCH
(2022)
Review
Chemistry, Multidisciplinary
Ruben Esteban, Jeremy J. Baumberg, Javier Aizpurua
Summary: This article describes the relationship, theoretical description, and experimental implementation of molecular optomechanics in SERS. Molecular optomechanics provides a new perspective to explain the nonlinear effects and statistical characteristics in the SERS signal. Through plasmonic resonance, SERS can characterize small numbers or even single molecules. This research is of great significance for the development of novel nanoscale optomechanical devices and the realization of quantum technology.
ACCOUNTS OF CHEMICAL RESEARCH
(2022)
Article
Computer Science, Interdisciplinary Applications
Fabio Naddei, Marta de la Llave Plata, Eric Lamballais
Summary: In this study, a priori analyses of the DG-VMS method for Large Eddy Simulation (LES) were performed using an analytical framework and the concept of modal eddy viscosity. It was found that the DG-VMS approach can replicate the ideal SGS dissipation spectrum when the resolution limit falls at the beginning of the dissipation range in DG-LES. However, for coarser resolutions typical of LES at high Reynolds numbers, the DG-VMS approach is unable to replicate the ideal energy transfer mechanism at the large-resolved scales.
JOURNAL OF COMPUTATIONAL PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Hijaz Ahmad, Tufail A. Khan, Predrag S. Stanimirovic, Wasfi Shatanawi, Thongchai Botmart
Summary: This study investigates the modified variational iteration algorithm-I, which is used for solving different types of nonlinear partial differential equations in modeling physical phenomena. The algorithm incorporates a supplementary parameter to ensure faster convergence. The results obtained from this algorithm are compared with exact and numerical solutions produced by various methods, demonstrating its efficiency, precision, and applicability. The proposed algorithm is highly valuable for solving practical problems in fields of applied physical sciences and engineering.
RESULTS IN PHYSICS
(2022)
Article
Computer Science, Interdisciplinary Applications
Rui Ming Zhang, Xuefei Xu, Donald G. Truhlar
Summary: TUMME is a program that assembles and solves master equations for gas-phase chemical kinetics based on chemically significant eigenmodes. It interfaces with Gaussian, Polyrate, and/or MSTor output files to calculate flux coefficients for the master equation. TUMME is written in Python 3 with double precision and can run in serial or parallel, while also offering quadruple and octuple precision in some subtasks in C++.
COMPUTER PHYSICS COMMUNICATIONS
(2022)
Article
Green & Sustainable Science & Technology
Mohamed Abdallah, Sadeque Hamdan, Ahmad Shabib
Summary: The study proposed a systematic optimization framework to identify the best waste management strategies, including maximizing material and energy recovery in facilities such as MRFs and AD plants. The optimal strategy reduced the carbon footprint from landfilling by 97.6%, increased profitability by approximately 288%, and could cover around 4.2% of the UAE's total energy demand.
JOURNAL OF CLEANER PRODUCTION
(2021)
Article
Physics, Multidisciplinary
Jinshuang Jin, Xin-Qi Li
Summary: A master equation approach is presented in this study to investigate transport through Majorana zero modes (MZMs). The comparison between the master equation treatment and the Bogoliubov-de Gennes (BdG) S-matrix scattering process reveals the intrinsic connection between both approaches and provides a better understanding of teleportation when the Majorana coupling vanishes. The study investigates the transient rates, occupation dynamics, currents, and shows the Markovian condition for the rates through bias voltage dependence.
NEW JOURNAL OF PHYSICS
(2022)
Article
Chemistry, Physical
Graziano Amati, Maximilian A. C. Saller, Aaron Kelly, Jeremy O. Richardson
Summary: The formalism of the generalized quantum master equation (GQME) is an effective tool for improving the accuracy and efficiency of quasiclassical trajectory methods in nonadiabatic quantum dynamics. This paper investigates the approximate solution of GQME using two methods and tests them on spin-boson models. The accuracy of the predictions of GQME depends strongly on the specific technique used to calculate the memory kernels.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Multidisciplinary Sciences
James Q. Quach, Kirsty E. McGhee, Lucia Ganzer, Dominic M. Rouse, Brendon W. Lovett, Erik M. Gauger, Jonathan Keeling, Giulio Cerullo, David G. Lidzey, Tersilla Virgili
Summary: The rate at which matter emits or absorbs light can be changed by the environment. This study focuses on the phenomenon of superabsorption, which is harder to demonstrate due to the challenges of probing ultrafast processes. A paradigmatic model of a quantum battery, made of a microcavity enclosing a molecular dye, is implemented to observe charging dynamics and demonstrate superextensive charging rates and storage capacity. Decoherence is found to play a crucial role in stabilizing energy storage.
Article
Physics, Multidisciplinary
Moritz Cygorek, Michael Cosacchi, Alexei Vagov, Vollrath Martin Axt, Brendon W. Lovett, Jonathan Keeling, Erik M. Gauger
Summary: Analyzing open quantum systems is difficult due to the complexity of their environments, but an automated method for identifying efficient representations can aid in numerical simulations. While some environments can be accurately described, approximations may be necessary in cases of large Hilbert spaces. Accurate numerical methods exist, but are primarily limited to environments with Gaussian correlations.
Article
Physics, Multidisciplinary
Magdalini Zonnios, Jesper Levinsen, Meera M. Parish, Felix A. Pollock, Kavan Modi
Summary: Motivated by the famous ink-drop experiment, the study proposes an experimentally implementable method for measuring the scrambling capacity of quantum processes. The researchers introduce a fully quantum version of the out of-time-order correlator, called the out-of-time-order tensor, which provides clear information about the chaoticity of a process.
PHYSICAL REVIEW LETTERS
(2022)
Article
Physics, Multidisciplinary
Piper Fowler-Wright, Brendon W. Lovett, Jonathan Keeling
Summary: This article demonstrates a method to simulate a model of many molecules with strong coupling to many vibrational modes and collective coupling to a single photon mode. By combining different methods and approximations, the steady state and photoluminescence spectrum of the model under incoherent pumping are analyzed. This approach allows for the simulation of many-body systems with strong coupling to multiple environments and extraction of both static and dynamical properties.
PHYSICAL REVIEW LETTERS
(2022)
Article
Quantum Science & Technology
Dominic Gribben, Aidan Strathearn, Gerald E. Fux, Peter Kirton, Brendon W. Lovett
Summary: Tracing out the environmental degrees of freedom is necessary when simulating open quantum systems. This may lead to a loss of information, making the understanding of dynamics challenging. To address this, we demonstrate how system correlations can be used to infer correlation functions of a Gaussian environment and reconstruct the full dynamics of the system and environment.
Review
Physics, Applied
Valentin Gebhart, Raffaele Santagati, Antonio Andrea Gentile, Erik M. Gauger, David Craig, Natalia Ares, Leonardo Banchi, Florian Marquardt, Luca Pezze, Cristian Bonato
Summary: Although the complexity of quantum systems increases exponentially with their size, classical algorithms and optimization strategies still play a crucial role in characterizing and detecting quantum states and dynamics. The future of quantum technologies relies on developing complex quantum systems for computation, simulation, and sensing, which poses challenges in control, calibration, and validation. This review explores classical post-processing techniques and adaptive optimization approaches to learn about quantum systems, their correlations, dynamics, and interaction with the environment, using various qubit architectures such as spin qubits, trapped ions, photonic and atomic systems, and superconducting circuits. It also highlights the importance of Bayesian formalism and neural networks.
NATURE REVIEWS PHYSICS
(2023)
Article
Physics, Multidisciplinary
Gerald E. Fux, Dainius Kilda, Brendon W. Lovett, Jonathan Keeling
Summary: We propose a general numerical method for computing the dynamics and multitime correlations of chains of quantum systems coupled to structured environments. The method combines the process tensor formalism for general open quantum systems with time-evolving block decimation for one-dimensional chains, reducing numerical complexity and enabling a wide range of applications. We demonstrate its effectiveness by studying thermalization of individual spins in a short XYZ Heisenberg chain and diffusion dynamics in a longer XY chain where each site couples to its own bath.
PHYSICAL REVIEW RESEARCH
(2023)
Article
Physics, Multidisciplinary
J. Wiercinski, E. M. Gauger, M. Cygorek
Summary: In this paper, the existence of weak dephasing mechanisms is confirmed by performing two-photon coincidence measurements on cooperatively emitting quantum dots. The impact of different decoherence mechanisms on the two-photon coincidence signals is investigated, and it is found that the strongly coupled phonon environment has a weak effect on coherence. This study provides a practical means of investigating decoherence processes in solid-state emitters.
PHYSICAL REVIEW RESEARCH
(2023)
Article
Chemistry, Physical
Alexandre R. Coates, Brendon W. Lovett, Erik M. Gauger
Summary: Understanding energy transport is important for light-harvesting and quantum technologies. Open quantum systems theory predicts environmental noise-assisted quantum transport (ENAQT) in biological and artificial systems. Previous studies focused on canonical structures like chains, rings, and light-harvesting complexes, leading to assumptions about ENAQT. This paper shows that physically modeled transport networks can have at least two ENAQT peaks in their steady state transport efficiency.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Optics
Moritz Cygorek, Eleanor D. Scerri, Ted S. Santana, Zhe X. Koong, Brian D. Gerardot, Erik M. Gauger
Summary: Indistinguishable quantum emitters exhibit superradiance when confined to length scales smaller than the wavelength of the light. Recent experiments show that similar effects can also occur between emitters that are too far apart to be superradiant, if correlations are induced by measurement-induced cooperativity. This study compares the effects of superradiance and measurement-induced cooperativity on time-dependent optical signals, finding that a dip in photon coincidences at zero time delay is a signature of interemitter correlations but does not unambiguously prove the presence of superradiance.
Article
Multidisciplinary Sciences
Emma Joy Dodson, Nicholas Werren, Yossi Paltiel, Erik M. M. Gauger, Nir Keren
Summary: In this study, energy transfer through subsets of PBS structures was modeled using a comprehensive dynamic Hamiltonian model. The simulations suggest that the PBS chromophore network enhances energy distribution over the entire PBS structure and that energy transfer is relatively immune to the effects of distances or rotations. Therefore, PBS provides unique advantages and flexibility to aquatic photosynthesis.
JOURNAL OF THE ROYAL SOCIETY INTERFACE
(2022)
Article
Quantum Science & Technology
Scott Davidson, Felix A. Pollock, Erik Gauger
Summary: This study demonstrates the efficient elimination of radiative losses in systems with an intrinsic energy gradient. By adjusting the intra-unit-cell coupling, the system's eigenstates are partitioned into bright and dark subspaces, enabling efficient long-range transport through a dark chain of eigenstates. Additionally, appropriately aligned dipole moments provide additional protection against nonradiative loss processes.
Article
Quantum Science & Technology
Dominic Gribben, Dominic M. Rouse, Jake Iles-Smith, Aidan Strathearn, Henry Maguire, Peter Kirton, Ahsan Nazir, Erik M. Gauger, Brendon W. Lovett
Summary: In this study, a numerically exact and efficient technique called time-evolving matrix product operator (TEMPO) representation is proposed for dealing with quantum systems strongly coupled to multiple baths. The method is tested on a model system and demonstrates its capability of capturing nonadditive behavior.
Article
Materials Science, Multidisciplinary
Dominic M. Rouse, Erik M. Gauger, Brendon W. Lovett
Summary: In this paper, an intuitive analytic expression for the optical transition rates in the polaron frame is derived using a finite-mode truncation of the vibrational bath. The technique shows convergence of transition rates for only a few modes in the truncated spectral density and captures nonadditive effects.
