相关论文: Surface hopping methodology in laser-driven molecu…
Recently a simple proof of the generalizations of Hawking's black hole topology theorem and its application to topological black holes for higher dimensional ($n\geq 4$) spacetimes was given \cite{rnew}. By applying the associated new line…
Coarse-grained (CG) conformational surface hopping (SH) adapts the concept of multisurface dynamics, initially developed to describe electronic transitions in chemical reactions, to accurately describe classical molecular dynamics at a…
Time periodic forcing in the form of coherent radiation is a standard tool for the coherent manipulation of small quantum systems like single atoms. In the last years, periodic driving has more and more also been considered as a means for…
We demonstrate that a site-dependent driving of a periodic potential allows for the controlled manipulation of a quantum particle on length scales of the lattice spacing. Specifically we observe for distinct driving frequencies a near…
The potential flow of two-dimensional ideal incompressible fluid with a free surface is studied. Using the theory of conformal mappings and Hamiltonian formalism allows us to derive exact equations of surface evolution. Simple form of the…
We implement a rare-event sampling scheme for quantifying the rate of thermally-activated nonadiabatic transitions in the condensed phase. Our QM/MM methodology uses the recently developed INAQS package to interface between an elementary…
We propose a `Floquet engineering' formalism to systematically design a periodic driving protocol in order to stroboscopically realize the desired system starting from a given static Hamiltonian. The formalism is applicable to quantum…
Diffusion-mediated surface phenomena are crucial for human life and industry, with examples ranging from oxygen capture by lung alveolar surface to heterogeneous catalysis, gene regulation, membrane permeation and filtration processes.…
An extended interference pattern close to surface may result in both a transmissive or evanescent surface fields for large area manipulation of trapped particles. The affinity of differing particle sizes to a moving standing wave light…
A millimetric bouncing droplet sustained on a vibrating bath becomes a moving wave source (particle) through periodically interacting with the local wave field it generates during the droplet-bath impact. By virtue of such particle-wave…
The directed motion of active colloids is governed by spatial variations in surface chemistry and interfacial stress, yet these properties remain extremely difficult to measure directly. We introduce a physics-informed neural network…
The violation of detailed balance poses a serious problem for the majority of current quasiclassical methods for simulating nonadiabatic dynamics. In order to analyze the severity of the problem, we predict the long-time limits of the…
We consider the dynamical properties of a simple model of vibrational surface modes. We obtain the exact spectrum of surface excitations and discuss their dynamical features. In addition to the usually discussed localized and oscillatory…
By tooling an spot-illuminated surface to control the flow of specular glints under motion, one can produce holographic view-dependent imagery. This paper presents the differential equation that governs the shape of the specular surfaces,…
The Jaynes-Cummings model (JCM), one of the paradigms of quantum electrodynamics, was introduced to describe interaction between light and a fictitious two-level atom. Recently it was suggested that the JCM Hamiltonian can be invoked to…
We develop an efficient parallel multiscale method that bridges the atomistic and mesoscale regimes, from nanometer to micron and beyond, via concurrent coupling of atomistic simulation and mesoscopic dynamics. In particular, we combine an…
A quantum-mechanical Gaussian wave-packet approach to the theoretical description of nuclear motions in a condensed-phase environment is developed. General expressions for the time-dependent reduced density matrix are given for a harmonic…
Both the physical picture of the dynamics of atoms and molecules in intense infrared fields and its theoretical description use the concept of electron trajectories. Here we address a key question which arises in this context: Are…
The hierarchical equations of motion (HEOM) for a generalized quantum dissipative system is rigorously constructed in the frameworks of two different stochastic dynamical descriptions, i.e., the non-Markovian quantum state diffusion…
To describe the grazing scattering of keV atoms at surface, a new quantum binary collision model have been proposed where the dynamical properties of the surface atoms are considered via the wave-function of the local Debye harmonic…