Related papers: Solution X-ray scattering (S/WAXS) and structure f…
X-ray Absorption Spectroscopy (XAS) is a powerful technique for probing local atomic environments, yet its interpretation remains limited by the need for expert-driven analysis, computationally expensive simulations, and element-specific…
Previous work on imaging wave packet dynamics with x-ray scattering revealed that the scattering patterns deviate substantially from the notion of instantaneous momentum density of the wave packet. Here we show that scattering patterns can…
We present a computational imaging technique for imaging thin films at grazing-incidence (GI) angles by incorporating structured illumination into existing GI X-ray scattering setups. This method involves scanning a micro-coded aperture…
This report shows formulation of wave scattering in frequency domain. The formulation provides an understanding of S-matrix solver which is named as Scattering Matrix Analyzer (SMatrAn). The S-matrix has the whole of amplitude and phase…
Much scientific enquiry across disciplines is founded upon a mechanistic treatment of dynamic systems that ties form to function. A highly visible instance of this is in molecular biology, where an important goal is to determine…
A scattering model is developed for ultracold molecular collisions, which allows inelastic processes, chemical reactions, and complex formation to be treated in a unified way. All these scattering processes and various combinations of them…
In computed tomography, data consist of measurements of the attenuation of X-rays passing through an object. The goal is to reconstruct the linear attenuation coefficient of the object's interior. For each position of the X-ray source,…
A general procedure of average-case performance evaluation for population dynamics such as genetic algorithms (GAs) is proposed and its validity is numerically examined. We introduce a learning algorithm of Gibbs distributions from training…
Scattering-type scanning near-field optical microscopy is a powerful imaging technique for studying materials beyond the diffraction limit. However, interpreting near-field measurements poses challenges in mapping the response of…
In this paper, we propose a Bayesian spectral deconvolution considering the properties of peaks in different energy domains. Bayesian spectral deconvolution regresses spectral data into the sum of multiple basis functions. Conventional…
The structure of proteins is essential for its function. The determination of protein structures is possible by experimental or predicted by computational methods, but also a combination of both approaches is possible. Here, first an…
Light-matter interaction is exploited in spectroscopic techniques to access information about molecular, atomic or nuclear constituents of the sample of interest. While scattered light carries both amplitude and phase information of the…
This work proposes a scalable probabilistic latent variable model based on Gaussian processes (Lawrence, 2004) in the context of multiple observation spaces. We focus on an application in astrophysics where data sets typically contain both…
Despite the significant increase in computational power, molecular modeling of protein structure using classical all-atom approaches remains inefficient, at least for most of the protein targets in the focus of biomedical research. Perhaps…
The Talbot effect describes the emergence of periodic patterns in perturbed propagating wave fields. The effect is well studied for perturbations from structurally coherent optics such as diffraction gratings. The emergence of freeform and…
Grazing-incidence X-ray diffraction (GIXRD) is a scattering technique which allows one to characterize the structure of fluid interfaces down to the molecular scale, including the measurement of the surface tension and of the interface…
Scattering methods are widespread used to characterize the structure and constituents of matter on small length scales. This motivates this introductory text on identifying prospective approaches to scattering-based methods for granular…
Over the last 10-15 years a general understanding of the chemical reaction of protein folding has emerged from statistical mechanics. The lessons learned from protein folding kinetics based on energy landscape ideas have benefited protein…
Mass spectrometry is the dominant technology in the field of proteomics, enabling high-throughput analysis of the protein content of complex biological samples. Due to the complexity of the instrumentation and resulting data, sophisticated…
Variable selection for structured covariates lying on an underlying known graph is a problem motivated by practical applications, and has been a topic of increasing interest. However, most of the existing methods may not be scalable to high…