Related papers: Generalized master equation for modular exciton de…
This work introduces a novel probabilistic deep learning technique called deep Gaussian mixture ensembles (DGMEs), which enables accurate quantification of both epistemic and aleatoric uncertainty. By assuming the data generating process…
In this work a practical scheme is developed for the first-principles study of time-dependent quantum transport. The basic idea is to combine the transport master-equation with the well-known time-dependent density functional theory. The…
The electron density, its gradient, and the Kohn-Sham orbital kinetic energy density are the local ingredients of a meta-generalized gradient approximation (meta-GGA). We construct a meta-GGA density functional for the exchange-correlation…
Conditional Density Estimation (CDE) models deal with estimating conditional distributions. The conditions imposed on the distribution are the inputs of the model. CDE is a challenging task as there is a fundamental trade-off between model…
In the framework of theory of open quantum systems, we derive quantum master equations for the ultrastrong system-bath coupling regime and, more generally, the strong-decoherence regime. In this regime, the strong decoherence is…
A quantization scheme for the phenomenological Maxwell theory of the full electromagnetic field in an inhomogeneous three-dimensional, dispersive and absorbing dielectric medium is developed. The classical Maxwell equations with spatially…
The theoretical description of the interplay between coherent evolution and chemical exchange, originally developed for magnetic resonance and later applied to other spectroscopic regimes, was derived under incorrect statistical…
Computationally tractable and reliable, albeit approximate, methods for studying exciton transport in molecular aggregates immersed in structured bosonic environments have been actively developed. Going beyond the lowest-order (Born)…
For driven Markovian dynamics on a network of (biomolecular) states, the generalized mobilities, i.e., the response of any current to changes in an external parameter, are expressed by an integral over an appropriate current-current…
A quantum-kinetic formulation of the dynamical evolution of a high-energy non-equilibrium gluon system at finite density is developed, to study the interplay between quantum fluctuations of high-momentum (hard) gluons and the low-momentum…
We propose a method to reconstruct the density of an optical source in a highly scattering medium from ultrasound-modulated optical measurements. Our approach is based on the solution to a hybrid inverse source problem for the radiative…
The quantum master equation is a widespread approach to describing open quantum system dynamics. In this approach, the effect of the environment on the system evolution is entirely captured by the dynamical generator, providing a compact…
A theoretical scheme for the treatment of an open molecular system with electrons and nuclei is proposed. The idea is based on the Grand Canonical description of a quantum region embedded in a classical reservoir of molecules. Electronic…
Recent ultrafast optical experiments show that excitons in large biological light-harvesting complexes are coupled to molecular vibration modes. These high-frequency vibrations will not only affect the optical response, but also drive the…
Modeling the time-dependent evolution of electron density is essential for understanding quantum mechanical behaviors of condensed matter and enabling predictive simulations in spectroscopy, photochemistry, and ultrafast science. Yet, while…
We extend the "analogue spacetime" programme by investigating a condensed-matter system that is in principle capable of simulating the massive Klein--Gordon equation in curved spacetime. Since many elementary particles have mass, this is an…
Given the inherent limitations of traditional Variational Quantum Eigensolver(VQE) algorithms, the integration of deep generative models into hybrid quantum-classical frameworks, specifically the Generative Quantum Eigensolver(GQE),…
Formulas are derived for the average level density of deformed, or transition, Gaussian orthogonal random matrix ensembles. After some general considerations about Gaussian ensembles we derive formulas for the average level density for (i)…
Within the framework of the density matrix method, general formulas obtained that are convenient for describing fast pulsed photoemission that occurs in a time less than or on the order of the times of relaxation processes inside the…
We present a quantum algorithm based on the Generalized Quantum Master Equation (GQME) approach to simulate open quantum system dynamics on noisy intermediate-scale quantum (NISQ) computers. This approach overcomes the limitations of the…