Related papers: Non-Adiabatic Quantum Molecular Dynamics with Deta…
A large number of multifaceted quantum transport processes in molecular systems and physical nanosystems can be treated in terms of quantum relaxation processes which couple to one or several fluctuating environments. A thermal equilibrium…
This report presents a new approach for treating the coupling of electrons and nuclei in quantum mechanical calculations for molecules and condensed matter. It includes the standard "Born-Oppenheimer approximation" as a special case but…
Understanding heat transfer between a quantum system and its environment is of undisputed importance if reliable quantum devices are to be constructed. Here, we investigate the heat transfer between system and bath in non-Markovian open…
In a time-orbiting-potential magnetic trap the neutral atoms are confined by means of an inhomogeneous magnetic field superimposed to an uniform rotating one. We perform an analytic study of the atomic motion by taking into account the…
The quantum adiabatic theorem is fundamental to time dependent quantum systems, but being able to characterize quantitatively an adiabatic evolution in many-body systems can be a challenge. This work demonstrates that the use of appropriate…
Adiabatic processes are important for studying the dynamics of a time-dependent system. Conventionally, the adiabatic processes can only be achieved by varying the system slowly. We speed up both classical and quantum adiabatic processes by…
We extend the concept of superadiabatic dynamics, or transitionless quantum driving, to quantum open systems whose evolution is governed by a master equation in the Lindblad form. We provide the general framework needed to determine the…
A nonadiabatic-transition system which exhibits ``quantum chaotic'' behavior [Phys. Rev. E {\bf 63}, 066221 (2001)] is investigated from quasi-classical aspects. Since such a system does not have a naive classical limit, we take the mapping…
We develop from first principles Markovian master equations suited for studying the time evolution of a system evolving adiabatically while coupled weakly to a thermal bath. We derive two sets of equations in the adiabatic limit, one using…
In this paper a formalism for studying the dynamics of quantum systems coupled to classical spin environments is reviewed. The theory is based on generalized antisymmetric brackets and naturally predicts open-path off-diagonal geometric…
We investigate the transition of a quantum wave-packet through a one-dimensional avoided crossing of molecular energy levels when the energy levels at the crossing point are tilted. Using superadiabatic representations, and an approximation…
For classical nonequilibrium systems, the separation of the total entropy production into the adiabatic and nonadiabatic contributions is useful for understanding irreversibility in nonequilibrium thermodynamics. In this article, we…
We introduce a computational framework for simulating non-adiabatic vibronic dynamics on circuit quantum electrodynamics (cQED) platforms. Our approach leverages hybrid oscillator-qubit quantum hardware with mid-circuit measurements and…
We study quantum adiabatic dynamics, where the slowly moving field is influenced by system's state (feedback). The information for the feedback is gained from non-disturbating measurements done on an ensemble of identical non-interacting…
Current quantum simulation experiments are starting to explore non-equilibrium many-body dynamics in previously inaccessible regimes in terms of system sizes and time scales. Therefore, the question emerges which observables are best suited…
We present a detailed study of the dynamics of correlations in non-Markovian environments, applying the hierarchy equations approach. This theoretical treatment is able to take the system-bath interaction into consideration carefully. It is…
Molecular dynamics simulations allow to study the structure and dynamics of single biomolecules in microscopic detail. However, many processes occur on time scales beyond the reach of fully atomistic simulations and require coarse-grained…
Microscopic thermal machines promise to play an important role in future quantum technologies. Making such devices widely applicable will require effective strategies to channel their output into easily accessible storage systems like…
The evolution of a driven quantum system is said to be adiabatic whenever the state of the system stays close to an instantaneous eigenstate of its time-dependent Hamiltonian. The celebrated quantum adiabatic theorem ensures that such pure…
In this paper we propose an ab initio method to solve quantum many-body problems of molecular dynamics where both the electronic and the nuclear degrees are represented by ensembles of trajectories and guiding waves in physical space. Both…