Related papers: Excitation Transport in Molecular Aggregates with …
Theoretical and experimental values to date for the resistances of single molecules commonly disagree by orders of magnitude. By reformulating the transport problem using boundary conditions suitable for correlated many-electron systems, we…
Shortcuts to adiabaticity have been proposed to speed up the "slow" adiabatic transport of an atom or a wave packet of atoms. However, the freedom of the inverse engineering approach with appropriate boundary conditions provides thousands…
Accurate description of nonadiabatic dynamics of molecules at metal surfaces involving electron transfer has been a longstanding challenge for theory. Here, we tackle this problem by first constructing high-dimensional neural network…
We present a detailed study of the transport and energetics of a Brownian particle moving in a periodic potential in the presence of an adiabatic external periodic drive. The particle is considered to move in a medium with periodic space…
Understanding how the vibrational and thermal properties of solids are influenced by atomistic structural disorder is of fundamental scientific interest, and paramount to designing materials for next-generation energy technologies. While…
Recent experiments have shown that transport properties of molecular-scale devices can be reversibly altered by the surrounding solvent. Here, we use a combination of first-principles calculations and experiment to explain this change in…
We investigate the nonequilibrium population of a vibrational mode in the steady state of a biased molecular junction, using a rate equation approach. We focus on the limit of weak electronic-vibrational coupling and show that, in the…
The effect of curvature and how it induces and enhances the transport of colloidal particles driven through narrow channels represent an unexplored research avenue. Here we combine experiments and simulations to investigate the dynamics of…
We theoretically analyze the excitation energy transfer between two closely spaced linear molecular J-aggregates, whose excited states are Frenkel excitons. The aggregate with the higher (lower) exciton band edge energy is considered as the…
Vibrationally inelastic electron transport through a flexible molecular junction is investigated. The study is based on a mechanistic model for a biphenyl molecule between two metal electrodes. Employing methods from electron-molecule…
The theoretical description and the properties of Frenkel excitons in non-covalently bonded molecular aggregates are reviewed from a multi-exciton perspective of dissipative quantum dynamics. First, the photophysical and quantum chemical…
Transport of molecular motors along protein filaments in a half-closed geometry is a common feature of biologically relevant processes in cellular protrusions. Using a lattice gas model we study how the interplay between active and…
In a nanoscale molecular junction at finite bias voltage,the intra-molecular distribution of vibrational energy can strongly deviate from the thermal equilibrium distribution and specific vibrational modes can be selectively excited in a…
We examine the angular momentum transport properties of disks composed of macroscopic particles whose velocity dispersions are externally enhanced (``stirred''). Our simple Boltzmann equation model serves as an analogy for unmagnetized…
We introduce an atomistic approach to the dissipative quantum dynamics of charged or neutral excitations propagating through macromolecular systems. Using the Feynman-Vernon path integral formalism, we analytically trace out from the…
The mechanism of angular momentum transport in accretion discs has long been debated. Although the magnetorotational instability appears to be a promising process, poorly ionized regions of accretion discs may not undergo this instability.…
Most models designed to study the bidirectional movement of cargos as they are driven by molecular motors rely on the idea that motors of different polarities can be coordinated by external agents if arranged into a motor-cargo complex to…
We study the interplay of intrinsic-electronic and environmental factors on long-range charge transport across molecular chains with up to $N\sim 80$ monomers. We describe the molecular electronic structure of the chain with a tight-binding…
We study the out-of-equilibrium dynamics of non-interacting atoms confined within a one-dimensional harmonic trap triggered by dragging an external long-range potential through the system. The symmetry-breaking nature of this moving…
Theoretical approaches of electronic transport in correlated molecules usually consider an extended molecule, which includes, in addition to the molecule itself, parts of electrodes. In the case where electron correlations remain confined…