相关论文: A physically realizable molecular motor driven by …

We investigate the model of "reversible ratchet" with interacting particles, introduced by us earlier [Europhys. Lett. 84, 50009 (2008)]. We further clarify the effect of efficiency enhancement due to interaction and show that it is of…

We present a theoretical investigation of thermal fluctuation statistics in a molecular motor. Energy transfer in the motor is described using a multidimensional discrete master equation with nearest-neighbor hopping. In this theory, energy…

Charged systems interacting via Coulomb forces can be efficiently simulated by introducing a local, diffusing degree of freedom for the electric field. This paper formulates the continuum electrodynamic equations corresponding to the…

We present a formulation of quantum molecular dynamics that includes electron correlation effects via the Gutzwiller method. Our new scheme enables the study of the dynamical behavior of atoms and molecules with strong electron…

We study electronic transport through a magnetic molecule with an intrinsic spin $S$ coupled to two magnetic electrodes, in the incoherent regime. The molecule is modeled as a single resonant level with large Coulomb repulsion (no double…

The semi-classical Bloch-Boltzmann theory is at the heart of our understanding of conduction in solids, ranging from metals to semi-conductors. Physical systems that are beyond the range of applicability of this theory are thus of…

We study the flashing ratchet model of a Brownian motor, which consists in cyclical switching between the Fokker-Planck equation with an asymmetric ratchet-like potential and the pure diffusion equation. We show that the motor really…

M. Porto (Phys. Rev. E 63 (2001) 030102) suggested a system consisting of Coulomb interacting particles, forming a linear track and a rotor, and working as a molecular motor. Newton equations with damping for the rotor coordinate on the…

Quantum transport through single molecules is very sensitive to the strength of the molecule-electrode contact. Here, we investigate the behavior of a model molecular junction weakly coupled to external electrodes in the case where charging…

A major role of robots is to assist in assembly by moving building blocks and by exerting forces, e.g. to snap parts together. At the molecular scale, diffusive transport and thermal forces permit self-assembly, and molecular robots can…

Linear bio-molecular motors move unidirectionally along a track by coordinating several different processes, such as fuel (ATP) capture, hydrolysis, conformational changes, binding and unbinding from a track, and center-of-mass diffusion. A…

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…

Theoretical analysis, which maps single molecule time trajectories of a molecular motor onto unicyclic Markov processes, allows us to evaluate the heat dissipated from the motor and to elucidate its dependence on the mean velocity and…

Generalized Langevin equations with non-linear forces and position-dependent linear friction memory kernels, such as commonly used to describe the effective dynamics of coarse-grained variables in molecular dynamics, are rigorously derived…

Off-resonant charge transport through molecular junctions has been extensively studied since the advent of single-molecule electronics and it is now well understood within the framework of the non-interacting Landauer approach. Conversely,…

We model a processive linear molecular motor as a particle diffusing in a one-dimensional periodic lattice with arbitrary transition rates between its sites. We present a relatively simple proof of a theorem which states that the ratio of…

We present a new hybrid lattice-Boltzmann and Langevin molecular dynamics scheme for simulating the dynamics of suspensions of spherical colloidal particles. The solvent is modeled on the level of the lattice-Boltzmann method while the…

The linearized collision operator of the Boltzmann equation for single species can be written as a sum of a positive multiplication operator, the collision frequency, and a compact integral operator. This classical result has more recently,…

The quantum dynamics of an ensemble of interacting electrons in an array of random scatterers is treated using a new numerical approach for the calculation of average values of quantum operators and time correlation functions in the Wigner…

We examine the dynamics of biological nanomotors within a simple model of a rotor having three ion-binding sites. It is shown that in the presence of an external dc electric field in the plane of the rotor, the loading of the ion from the…