相关论文: The DNA Nucleobase Thymine in Motion - Intersystem…

The transport properties at finite temperature of crystalline organic semiconductors are investigated, within the Su-Schrieffer-Heeger model, by combining exact diagonalization technique, Monte Carlo approaches, and maximum entropy method.…

The mechanism behind fast intersystem crossing in transition-metal complexes is shown to be a result of the dephasing of the photoexcited state to the phonon continuum of a different state with a significantly different transition…

A dimerized fermion chain, described by Su-Schrieffer-Heeger (SSH) model, is a well-known example of 1D system with a non-trivial band topology. An interplay of disorder and topological ordering in the SSH model is of a great interest owing…

The powerful molecular dynamics (MD) simulation is basically based on a picture that the atoms experience classical-like trajectories under the exertion of classical force field determined by the quantum mechanically solved electronic…

We study a nonequilibrium Ising model that stochastically evolves under the simultaneous operation of several spin-flip mechanisms. In other words, the local magnetic fields change sign randomly with time due to competing kinetics. This…

Non-adiabatic dynamics simulations have become a standard approach to explore photochemical reactions. Such simulations require underlying potential energy surfaces and couplings between them, calculated at a chosen level of theory, yet…

Injection from metallic electrodes serves as a main channel of charge generation in organic semiconducting devices and the quantum effect is normally regarded to be essential. We develop a dynamic approach based upon the surface hopping…

Electronic transport near the insulator-metal transition is investigated in the molecular beam epitaxy-grown SrTiO3/Nd1-xTiO3/SrTiO3 heterostructures using temperature dependent magnetotransport measurements. It was found that Nd-vacancies…

Three-dimensional (3D) topological insulators (TIs) are known to carry 2D Dirac-like topological surface states in which spin-momentum locking prohibits backscattering. When thinned down to a few nanometers, the hybridization between the…

The paper presents a survey of some dynamical transitions in nonequilibrium trapped Bose-condensed systems subject to the action of alternating fields. Nonequilibrium states of trapped systems can be realized in two ways, resonant and…

If a full band gap closes and then reopens when we continuously deform a periodic system while keeping its symmetry, a topological phase transition usually occurs. A common model demonstrating such a topological phase transition in…

Anomalous transport of a particle subjected to non-Ohmic damping of the power $\delta$ in a tilted periodic potential is investigated via Monte Carlo simulation of generalized Langevin equation. It is found that the system exhibits two…

The TASEP is a paradigmatic model from non-equilibrium statistical physics, which describes particles hopping along a lattice of discrete sites. The TASEP is applicable to a broad range of different transport systems, but does not consider…

We present a rare event sampling scheme applicable to coupled electronic excited states. In particular, we extend the forward flux sampling (FFS) method for rare event sampling to a nonadiabatic version (NAFFS) that uses the trajectory…

One of the most fascinating phenomena in non-Hermitian systems is the extensive accumulation of the bulk eigenstates under open-boundary conditions which is known as the non-Hermitian skin effect (NSHE). Here, we propose a switchable NHSE…

Non-Hermitian skin effects (NHSEs) have recently been extensively studied at the single-particle level. When many-body interactions become dominant, novel non-Hermitian phenomena can emerge. In this work, we propose an experimentally…

Magnetic skyrmions are promising candidates for future information storing and processing devices. There are different routes for stabilizing the skyrmions. Understanding the interplay mechanism between different scenarios of skyrmion…

Surface hopping algorithms, as an important class of quantum dynamics simulation algorithms for non-adiabatic dynamics, are typically performed in the adiabatic representation, which can break down in the presence of ill-defined adiabatic…

In this paper we have investigated, through computer simulations, dislocation nucleation and dislocation dynamics in a heterostructure system with the lattice-mismatch interface, i.e. a system with internal strain. In particular, we have…

We discuss how the crossovers in models like spin-boson model are changed by adding the coupling of the central spin to localised modes- the latter modelled as a 'spin bath'. These modes contain most of the environmental entropy and energy…