Related papers: Wave-Packet Surface Propagation for Light-Induced …
The search for new, application-specific quantum computers designed to outperform any classical computer is driven by the ending of Moore's law and the quantum advantages potentially obtainable. Photonic networks are promising examples,…
For inhomogeneous systems with interfaces, the inclusion of long-range dispersion interactions is necessary to achieve consistency between molecular simulation calculations and experimental results. For accurate and efficient incorporation…
Surface modes are coupled electromagnetic/electrostatic excitations of free electrons near the vacuum-plasma interface and can be excited on a sufficiently dense plasma half-space. They propagate along the surface plane and decay in either…
Solid-liquid interfaces are at the heart of many modern-day technologies and provide a challenge to many materials simulation methods. A realistic first-principles computational study of such systems entails the inclusion of solvent…
Vision modeling has advanced rapidly with Transformers, whose attention mechanisms capture visual dependencies but lack a principled account of how semantic information propagates spatially. We revisit this problem from a wave-based…
Irradiation- and collision-induced fragmentation studies provide information about geometry, electronic properties and interactions between structural units of various molecular systems. Such knowledge brings insights into…
We present a quantum dynamic study on organic lasing phenomena, which is a challenging issue in organic optoelectronics. Previously, phenomenological method has achieved success in describing experimental observation. However, it cannot…
A wave packet undergoes a strong spatial and temporal dispersion while propagating through a complex medium. This wave scattering is often seen as a nightmare in wave physics whether it be for focusing, imaging or communication purposes.…
A non-dispersing wave packet has been attracting much interest from various scientific and technological viewpoints. However, most quantum systems are accompanied by anharmonicity, so that retardation of quantum wave-packet dispersion is…
A new approach to simulating warm and hot dense matter that combines density functional theory based calculations of the electronic structure to classical molecular dynamics simulations with pair interaction potentials is presented. The new…
The theoretical investigation of non-adiabatic processes is hampered by the complexity of the coupled electron-nuclear dynamics beyond the Born-Oppenheimer approximation. Classically, the simulation of such reactions is limited by the…
Nonadiabatic dynamics methods are an essential tool for investigating photochemical processes. In the context of employing first principles electronic structure techniques, such simulations can be carried out in a practical manner using…
Traditional elastic wavefield separation methods, while accurate, often demand substantial computational resources, especially for large geological models or 3D scenarios. Purely data-driven neural network approaches can be more efficient,…
Wave equations are fundamental to describing a vast array of physical phenomena, yet their simulation in inhomogeneous media poses a computational challenge due to the highly oscillatory nature of the solutions. To overcome the high costs…
We propose a novel platform for the investigation of quantum wave packet dynamics, offering a complementary approach to existing theoretical models and experimental systems. It relies on laser-cooled neutral atoms which orbit around an…
Simulation and analysis of multidimensional dynamics of a quantum non-Hmeritian system is a challenging problem. Gaussian wavepacket dynamics has proven to be an intuitive semiclassical approach to approximately solving the dynamics of…
The Projected Augmented Waves (PAW) method is based on a linear transformation between the pseudo wavefunctions and the all electron wavefunctions. To obtain high accuracy with this method, it is important that the local part of the linear…
The transfer-matrix method is a standard approach to wave propagation in stratified media. With the advent of cold-atom-based quantum and photonic technologies, several experiments and many proposals consider light propagation in…
The Whitham Broer Kaup (WBK) equations provide a fundamental framework for modeling shallow water wave dynamics, effectively capturing both nonlinear and dispersive effects. In this study, we construct a new class of analytical and…
Humans gain an implicit understanding of physical laws through observing and interacting with the world. Endowing an autonomous agent with an understanding of physical laws through experience and observation is seldom practical: we should…