相关论文: A general method to describe intersystem crossing …
I give an overview of rare event simulation techniques to generate dynamical pathways across high free energy barriers. The methods on which I will concentrate are the reactive flux approach, transition path sampling, (replica-exchange)…
We present a probabilistic theory of random walks in turbid media with non-scattering regions. It is shown that important characteristics such as diffusion constants, average step lengths, crossing statistics and void spacings can be…
For a given a normally hyperbolic invariant manifold, whose stable and unstable manifolds intersect transversally, we consider several tools and techniques to detect trajectories with prescribed itineraries: the scattering map, the…
We derive an effective cluster model to address the transport properties of mutually interacting small polarons. We propose a decoupling scheme where the hopping dynamics of any given particle is determined by separating out explicitly the…
Rare nonadiabatic reactions are a key component of many important molecular processes but are challenging to capture with direct dynamical simulations. In this paper, we combine our recently developed mapping approach to surface hopping…
On the basis of the method of iterative summation of path integrals (ISPI), we develop a numerically exact transfer-matrix method to describe the nonequilibrium properties of interacting quantum-dot systems. For this, we map the ISPI scheme…
We develop and apply a minimally invasive approach for characterization of inter-species spin interactions by detecting spin fluctuations alone. We consider a heterogeneous two-component spin ensemble in thermal equilibrium that interacts…
Independent electron surface hopping (IESH) is a computational algorithm for simulating the mixed quantum-classical molecular dynamics of adsorbate atoms and molecules interacting with metal surfaces. It is capable of modelling the…
The analysis of global dynamics, particularly the identification and characterization of attractors and their regions of attraction, is essential for complex nonlinear and hybrid systems. Combinatorial methods based on Conley's index theory…
Since the discovery of the first exoplanets more than 20 years ago, there has been an increasing need for photometric and spectroscopic models to characterize these systems. While imaging has been used extensively for Solar System bodies…
We present a preliminary surface-hopping approach for modeling intersystem crossing (ISC) dynamics between four electronic states: one singlet and one (triply degenerate) triplet. In order to incorporate all Berry force effects, the…
The escape mechanism of orbits in a star cluster rotating around its parent galaxy in a circular orbit is investigated. A three degrees of freedom model is used for describing the dynamical properties of the Hamiltonian system. The…
This paper describes a stereo image-based visual servoing system for trajectory tracking by a non-holonomic robot without externally derived pose information nor a known visual map of the environment. It is called trajectory servoing. The…
Nonadiabatic dynamics around an avoid crossing or a conical intersection play a crucial role in the photoinduced processes of most polyatomic molecules. The present work shows that the topological phase in conical intersection makes the…
Non-Hermitian systems have been discussed mostly in the context of open systems and nonequilibrium. Recent experimental progress is much from optical, cold-atomic, and classical platforms due to the vast tunability and clear identification…
Systems in contact with an environment provide a ubiquitous challenge in quantum dynamics. Many fascinating phenomena can arise if the coupling is strong, leading to non-Markovian dynamics of the system, or collective, where the environment…
Multilayer networks have permeated all the sciences as a powerful mathematical abstraction for interdependent heterogenous complex systems such as multimodal brain connectomes, transportation, ecological systems, and scientific…
We propose an 'automatic' approach to analyze the results of the on-the-fly trajectory surface hopping simulation on the multi-channel nonadiabatic photoisomerization dynamics by considering the trajectory similarity and the configuration…
The interplay of electric charge, spin, and orbital polarizations, coherently driven by picosecond long oscillations of light fields in spin-orbit coupled systems, is the foundation of emerging terahertz spintronics and orbitronics. The…
Chiral active matter widely exists in nature and emerges rich dynamical behaviors. Among these, chiral active particles (CAPs) with alignment effects show novel collective motions such as orderly rotating droplets and distinct phase…