Related papers: Simulating electronic coherences induced by conica…
Modeling has been created for a Space-to-Surface system defined for an optimal trajectory for targeting in terminal phase with avoids an intercepting process. The modeling includes models for simulation atmosphere, speed of sound,…
The state space representation of active resident space objects can be posed in the form of a stochastic hybrid system. Satellite maneuvers may be accounted for according to control cost or heuristical considerations, yet it is possible to…
We address the issues of decoherence, frustrated hops and internal consistency in surface hopping. We demonstrate that moving away from an independent-trajectory picture is the strategy which allows us to propose a robust surface hopping…
Tracing ultrafast processes induced by interaction of light with matter is often very challenging. In molecular systems, the initially created electronic coherence becomes damped by the slow nuclear rearrangement on a femtosecond timescale…
Electromagnetic simulations of complex geologic settings are computationally expensive. One reason for this is the fact that a fine mesh is required to accurately discretize the electrical conductivity model of a given setting. This…
The pre-existing literature on phenomena at the mesoscopic scale is concerned among other things with phase coherent transport. Phase coherent transport dominates at very low temperatures. With increase in temperature, as the system size…
The ability to resolve and quantify features at submicrometer scales from a single-shot image is crucial for real-time uncovering intricate structures in unlabeled biological samples and analyzing them at the subcellular level. We introduce…
Marcus--Hush theory explains electron transfer in terms of reorganization energies, driving forces, electronic couplings, and reduced free-energy or energy-gap descriptions. These descriptions do not by themselves determine when the…
We study both theoretically and experimentally the nonlinear interaction between an intense surface acoustic wave and a two-dimensional electron plasma in semiconductor-piezocrystal hybrid structures. The experiments on hybrid systems…
The simulation of spectroscopic observables for molecular aggregates with strong and structured coupling of electronic excitation to vibrational degrees of freedom is an important but challenging task. The hierarchy of pure states (HOPS)…
The electron transfer kinetics of mixed-valence systems is studied via solving the eigen-structure of the two-state non-adiabatic diffusion operator for a wide range of electronic coupling constants and energy bias constants. The calculated…
Chemical relaxation phenomena, including photochemistry and electron transfer processes, form a vigorous area of research in which nonadiabatic dynamics plays a fundamental role. Here, we show that for nonadiabatic dynamics with two…
We fully generalize a previously-developed computational geometry tool [1] to perform large-scale simulations of arbitrary two-dimensional faceted surfaces $z = h(x,y)$. Our method uses a three-component facet/edge/junction storage model,…
A first principles quantum formalism to describe the non-adiabatic dynamics of electrons and nuclei based on a second quantization representation (SQR) of the electronic motion combined with the usual representation of the nuclear…
Ongoing developments in ultrafast X-ray sources offer powerful new means of probing the com- plex non-adiabatically coupled structural and electronic dynamics of photoexcited molecules. These non-Born-Oppenheimer effects are governed by…
We use an Autoregressive (AR) approach combined with a Maximum Entropy Method (MEM) to estimate radial surface currents from coastal High-Frequency Radar (HFR) complex voltage time series. The performances of this combined AR-MEM model are…
Energy transfer through quantum coherences plays an essential role in diverse natural phenomena and technological applications, such as human vision, light-harvesting complexes, quantum heat engines, and quantum information and computing.…
Neural control of grasping arises from nonlinear interactions across multiple brain rhythms, yet EEG-based motor decoding has largely relied on linear, second-order spectral features. Here, we examine whether higher-order cross-frequency…
Electron heating and mixing during asymmetric reconnection are studied with a 3D kinetic simulation that matches plasma parameters from Magnetospheric Multiscale (MMS) spacecraft observations of a magnetopause diffusion region. The mixing…
Ring Polymer Surface-Hopping (RPSH) has been recently introduced as a well-tailored method for incorporating nuclear quantum effects (NQEs), such as zero-point energy and tunneling, into non-adiabatic molecular dynamics simulations. The…