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The dynamics of a qubit under the decoherence of a two level fluctuator (TLF) in addition to its coupling to a bosonic bath is investigated theoretically. Two different methods are applied and compared for this problem. One is a…
The treatment of quantum thermodynamic systems beyond weak coupling is of increasing relevance, yet extremely challenging. The evaluation of thermodynamic quantities in strong-coupling regimes requires a nonperturbative knowledge of the…
Modeling and direct numerical simulation of particle-laden flows have a tremendous variety of applications in science and engineering across a vast spectrum of scales from pollution dispersion in the atmosphere, to fluidization in the…
This work identifies geometric effects on dynamics due to nonadiabatic couplings in Born Oppenheimer systems and provides a systematic method for deriving corrections to mixed quantum-classical methods. Specifically, an exact path integral…
We develop a general approach to nonequilibrium nanostructures formed by one-dimensional channels coupled by tunnel junctions and/or by impurity scattering. The formalism is based on nonequilibrium version of functional bosonization. A…
Identifying an accurate model for the dynamics of a quantum system is a vexing problem that underlies a range of problems in experimental physics and quantum information theory. Recently, a method called quantum Hamiltonian learning has…
Most classical mechanical systems are based on dynamical variables whose values are real numbers. Energy conservation is then guaranteed if the dynamical equations are phrased in terms of a Hamiltonian function, which then leads to…
A new methodology is developed to integrate numerically the equations of motion for classical many-body systems in molecular dynamics simulations. Its distinguishable feature is the possibility to preserve, independently on the size of the…
We propose a generalization of quantum mechanical equations in the hydrodynamic form by introducing, into the Lagrangian density, terms taking into account the diffusion velocity at zero and finite temperatures and the diffusion pressure…
In this paper we study global existence of weak solutions for the Quantum Hydrodynamics System in 2-D in the space of energy. We do not require any additional regularity and/or smallness assumptions on the initial data. Our approach…
The family of trajectories-based approximations employed in computational quantum physics and chemistry is very diverse. For instance, Bohmian and Heller's frozen Gaussian semiclassical trajectories seem to have nothing in common. Based on…
In this paper we study up to which extent we can apply adiabatic control strategies to a quantum control model obtained by rotating wave approximation. In particular, we show that, under suitable assumptions on the asymptotic regime between…
The restriction of hydrodynamics to non-viscous, potential (gradient, irrotational) flows is a theory both simple and elegant; a favorite topic of introductory textbooks. It is known that this theory can be formulated as an action principle…
This is the final paper in a series that introduces geodesic molecular dynamics at constant potential energy. This dynamics is entitled NVU dynamics in analogy to standard energy-conserving Newtonian NVE dynamics. In the first two papers…
By the hydrodynamic linear response theory, dynamical correlation functions decay as power laws along certain velocities, determined by the flux Jacobian. Such correlations are obtained by hydrodynamic projections, and physically, they are…
While the treatment of chemically relevant systems containing hundreds or even thousands of electrons remains beyond the reach of quantum devices, the development of quantum-classical hybrid algorithms to resolve electronic correlation…
Implementation of a two-level non-Hermitian qubit via post-selection of a three-level system has been demonstrated. The post-selection procedure, which discards quantum jump to the ground-state manifold while retaining excitations in the…
The reformulation of nonequilibirum thermodynamics, to include the treatment of thermodynamic fluctuations, is applied to the hydrodynamic fluctuations of a simple fluid. It is shown that the nonequilibrium thermodynamic scheme leads to the…
Using the Deep Potential methodology, we construct a model that reproduces accurately the potential energy surface of the SCAN approximation of density functional theory for water, from low temperature and pressure to about 2400 K and 50…
Adaptive Molecular Resolution approaches in Molecular Dynamics are becoming relevant tools for the analysis of molecular liquids characterized by the interplay of different physical scales. The essential difference among these methods is in…