Related papers: Classical Nuclear Motion in Quantum Transport
Mixed-quantum classical (MQC) methods for simulating the dynamics of molecules at metal surfaces have the potential to accurately and efficiently provide mechanistic insight into reactive processes. Here, we introduce simple two-dimensional…
We analyze a mixed quantum-classical algorithm recently derived from the exact factorization equations [Min, Agostini, Gross, PRL {\bf 115}, 073001 (2015)] to show the role of the different terms in the algorithm in bringing about…
In this article we review aspects of charge and heat transport in interacting quantum dots and molecular junctions under stationary and time-dependent non-equilibrium conditions due to finite electrical and thermal bias. In particular, we…
We study the dynamics of quantum excitations inside macromolecules which can undergo conformational transitions. In the first part of the paper, we use the path integral formalism to rigorously derive a set of coupled equations of motion…
Using the time-dependent theory of quantum mechanics, we investigate nuclear electric dipole responses. The time evolution of a wave function is explicitly calculated in the coordinate-space representation. The particle continuum is treated…
We discuss three different aspects of the quantum dynamics of bio-molecular systems and more generally complex networks in the presence of strongly coupled environments. Firstly, we make a case for the systematic study of fundamental…
We study the quantum transport through entropic barriers induced by hardwall constrictions of hyperboloidal shape in two and three spatial dimensions. Using the separability of the Schrodinger equation and the classical equations of motion…
In recent years, machine learning methods have been widely used to study physical systems that are challenging to solve with governing equations. Physicists and engineers are framing the data-driven paradigm as an alternative approach to…
We model the dynamics of a closed quantum system brought out of mechanical equilibrium, undergoing a non-driven, spontaneous, thermodynamic transformation. In particular, we consider a quantum particle in a box with a moving and insulating…
We propose and study a quantum pump which emulates a traditional paddlewheel, that can be implemented with ultracold atoms in waveguides. We use wavepacket propagation to study its single-mode dynamics, which also determines its multimode…
The simulation of quantum dynamics on a digital quantum computer with parameterized circuits has widespread applications in fundamental and applied physics and chemistry. In this context, using the hybrid quantum-classical algorithm,…
For quantum transport through mesoscopic system, a quantum master equation approach is developed in terms of compact expressions for the transport current and the reduced density matrix of the system. The present work is an extension of…
The principle of energy conservation leads to a generalized choice of transition probability in a piecewise adiabatic representation of quantum(-classical) dynamics. Significant improvement (almost an order of magnitude, depending on the…
By modelling quantum systems as emerging from a (classical) sub-quantum thermodynamics, the quantum mechanical "decay of the wave packet" is shown to simply result from sub-quantum diffusion with a specific diffusion coefficient varying in…
The construction of quantum computer simulators requires advanced software which can capture the most significant characteristics of the quantum behavior and quantum states of qubits in such systems. Additionally, one needs to provide valid…
Quantum transport in a one-dimensional (1D) quasiperiodic lattice with mobility edges is explored. We first investigate the adiabatic pumping between left and right edge modes by resorting to two edge-bulk-edge channels and demonstrate that…
One of the new discoveries in quantum biology is the role of Environment Assisted Quantum Transport (ENAQT) in excitonic transport processes. In disordered quantum systems transport is most efficient when the environment just destroys…
The development of techniques for manipulation of quantum information has opened the door to a variety of protocols for accomplishing unprecedented tasks. In particular, a new protocol of quantum teleportation was proposed in 2008 to…
Coupling the vibrations of an oscillator to electronic transport is a key building block for nanoelectromechanical systems. They describe many nanoscale electrical components such as molecular junctions. Inspired by recent experimental…
We show that the classical mechanics of an algebraic model are implied by its quantizations. An algebraic model is defined, and the corresponding classical and quantum realizations are given in terms of a spectrum generating algebra.…