On trajectory-based nonadiabatic dynamics: Bohmian dynamics versus trajectory surface hopping
Graph Chatbot
Chat with Graph Search
Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.
DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.
Multiscale problems, such as modelling flows through porous media or predicting the mechanical properties of composite materials, are of great interest in many scientific areas. Analytical models describing these phenomena are rarely available, and one mus ...
Numerical solution of the involved governing equations confirm that the commonly used two orthogonal sets of gain- and loss-probes in BOTDA, differently affect the evolution of the pump state-of- polarization, thereby potentially compromising the minimizat ...
The objective of this paper is to investigate a new numerical method for the approximation of the self-diffusion matrix of a tagged particle process defined on a grid. While standard numerical methods make use of long-time averages of empirical means of de ...
Optimized Schwarz Methods (OSMs) are based on optimized transmission conditions along the interfaces between the subdomains. Optimized transmission conditions are derived at the theoretical level, using techniques developed in the last decades. The hypothe ...
Golgi apparatus (GA) is a center for lipid metabolism and the final target of ceramide pathway, which may result in apoptosis. In this work localization of highly hydrophobic hypericin is followed by time-resolved imaging of NBDC6 (fluorescent ceramide) in ...
An accurate solution of the wave equation at a fluid-solid interface requires a correct implementation of the boundary condition. Boundary conditions at acousto-elastic interface require continuity of the normal component of particle velocity and traction, ...
Ehrenfest dynamics is a useful approximation for ab initio mixed quantum-classical molecular dynamics that can treat electronically nonadiabatic effects. Although a severe approximation to the exact solution of the molecular time-dependent Schrödinger equa ...
In this article, we present a new linear model (3LP) for bipedal locomotion which can describe swing and torso dynamics as well as falling. Compared to traditional inverted-pendulum based models, 3LP produces more human-like center of mass trajectory and s ...
Solar energy has seen tremendous advances in the past years. For thin film photovoltaics, which use less of the expensive semiconductor materials, insufficient light absorption can be a limiting factor. It is hoped that by using diffractive optics to impro ...
Aggregate interlocking allows transferring shear and normal stresses through open cracks, and is considered to significantly contribute to the force transfer in cracked concrete. The complex phenomenon depends on the roughness of cracked surfaces, where ma ...