Related papers: A general method to describe intersystem crossing …
We consider the asymptotic evolution of a relativistic spin-1/2-particle. i.e. a particle whose wavefunction satisfies the Dirac equation with external static potential. We prove that the probability for the particle crossing a (detector)…
We describe how to simulate charge diffusion in organic semiconductors using a recently introduced mixed quantum-classical method, the mapping approach to surface hopping (MASH). In contrast to standard fewest-switches surface hopping, this…
Transition State Theory is a central cornerstone in reaction dynamics. Its key step is the identification of a dividing surface that is crossed only once by all reactive trajectories. This assumption is often badly violated, especially when…
In the spirit of the fewest switches surface hopping, the frozen Gaussian approximation with surface hopping (FGA-SH) method samples a path integral representation of the non-adiabatic dynamics in the semiclassical regime. An improved…
Rare nonadiabatic events play a central role in photochemistry but remain difficult to simulate because excited-state dynamics is computationally demanding and often stochastic. Here we introduce a deterministic and time-reversible…
The computer simulation of many molecular processes is complicated by long time scales caused by rare transitions between long-lived states. Here, we propose a new approach to simulate such rare events, which combines transition path…
Quantum spintronics is an emerging field focused on developing novel applications by utilizing the quantum coherence of magnetic systems. A key challenge in this context is achieving scalable long-range quantum information transmission in…
We review the depinning and nonequilibrium phases of collectively interacting particle systems driven over random or periodic substrates. This type of system is relevant to vortices in type-II superconductors, sliding charge density waves,…
We examine the phase space structures that govern reaction dynamics in the absence of critical points on the potential energy surface. We show that in the vicinity of hyperbolic invariant tori it is possible to define phase space dividing…
In chemical reactions, trajectories typically turn from reactants to products when crossing a dividing surface close to the normally hyperbolic invariant manifold (NHIM) given by the intersection of the stable and unstable manifolds of a…
Unveiling the key mechanisms that determine optically driven spin dynamics is essential both to probe the fundamental nature of ultrafast light-matter interactions, but also to drive future technologies of smaller, faster, and more energy…
Sensing touch on arbitrary surfaces has long been a goal of ubiquitous computing, but often requires instrumenting the surface. Depth camera-based systems have emerged as a promising solution for minimizing instrumentation, but at the cost…
Aging dynamics in glassy systems is investigated by considering the hopping motion in a rugged energy landscape whose deep minima are characterized by an exponential density of states. In particular we explore the behavior of a generic…
The constituents of soft matter systems such as colloidal suspensions, emulsions, polymers, and biological tissues undergo microscopic random motion, due to thermal energy. They may also experience drift motion correlated over mesoscopic or…
Dynamics of a particle diffusing in a confinement can be seen a sequence of bulk-diffusion-mediated hops on the confinement surface. Here, we investigate the surface hopping propagator that describes the position of the diffusing particle…
The motion of and interaction between phase singularities that anchor spiral waves captures many qualitative and, in some cases, quantitative features of complex dynamics in excitable systems. Being able to accurately reconstruct their…
Accurate simulation the many-electronic nonadiabatic dynamics process at metal surfaces remains as a significant task. In this work, we present an orbital surface hopping (OSH) algorithm rigorously derived from the orbital quantum classical…
Atypical, rare trajectories of dynamical systems are important: they are often the paths for chemical reactions, the haven of (relative) stability of planetary systems, the rogue waves that are detected in oil platforms, the structures that…
Topological insulators are insulating in the bulk but feature conducting states on their surfaces. Standard methods for probing their topological properties largely involve probing the surface, even though topological invariants are defined…
Experiments and their interpretation on polarization dynamics and polarization switching in vertical-cavity surface-emitting lasers operated in the fundamental transverse mode regime are reviewed. Important observations are switching events…