Related papers: Solution X-ray scattering (S/WAXS) and structure f…
Understanding protein motion within the cell is crucial for predicting reaction rates and macromolecular transport in the cytoplasm. A key question is how crowded environments affect protein dynamics through hydrodynamic and direct…
X-ray absorption near edge structure (XANES) spectroscopy is a powerful technique for characterizing the chemical state and symmetry of individual elements within materials, but requires collecting data at many energy points which can be…
To advance the development of future fusion devices beyond Wendelstein 7-X (W7-X), a robust understanding of energy confinement time scaling is crucial. Universal temperature and density profile shapes are theoretically anticipated through…
Atomistic force fields that are tuned to describe folded proteins predict overly compact structures for intrinsically disordered proteins (IDPs). To correct this, improvements in force fields to better model IDPs are usually paired with…
We describe a method to compute photon-matter interaction and atomic dynamics with X-ray lasers using a hybrid code based on classical molecular dynamics and collisional-radiative calculations. The forces between the atoms are dynamically…
A Statistic Vectorial Complex Ray Model (SVCRM) is proposed for the scattering of a plane wave by a non-spherical dielectric particle in three dimensions. This method counts the complex amplitudes of all rays arriving in a tiny box in the…
Neutron and X-ray scattering represent two state-of-the-art materials characterization techniques that measure materials' structural and dynamical properties with high precision. These techniques play critical roles in understanding a wide…
Understanding large amounts of spatiotemporal data from particle-based simulations, such as molecular dynamics, often relies on the computation and analysis of aggregate measures. These, however, by virtue of aggregation, hide structural…
We present a quantum theory for the dynamic structure factors in non-equilibrium, correlated, two-component systems such as plasmas or warm dense matter. Using this general framework, we derive expressions for effective local field…
A novel method and experimental configuration are proposed that allow the collection of high-quality X-ray absorption spectroscopy (XAS) data in transmission mode on a standard laboratory diffractometer. This configuration makes use of…
This work continues the development of the raytracing method of [1] for computing the scattered fields from metasurfaces characterized by locally periodic reflection and transmission coefficients. In this work, instead of describing the…
X-ray Thomson scattering (XRTS) has emerged as a widely used diagnostics for extreme states of matter in a great variety of situations, and over a broad range of parameters. The standard approach for the interpretation of XRTS measurements…
I describe a Bayesian method to account for measurement errors in linear regression of astronomical data. The method allows for heteroscedastic and possibly correlated measurement errors, and intrinsic scatter in the regression…
Spatial variables can be observed in many different forms, such as regularly sampled random fields (lattice data), point processes, and randomly sampled spatial processes. Joint analysis of such collections of observations is clearly…
In this paper, we propose a method for estimating model parameters using Small-Angle Scattering (SAS) data based on the Bayesian inference. Conventional SAS data analyses involve processes of manual parameter adjustment by analysts or…
The globalised cascaded scattering matrix technique is a well proven, practical method that can be used to simulate large accelerating RF structures in which realistic fabrication errors to be incorporated in an efficient manner without the…
We adapted the highly successful scattering density profile (SDP) model, which is used to jointly analyze small angle x-ray and neutron scattering data from unilamellar vesicles, for use with data from fully hydrated, liquid crystalline…
Motivated by the prediction of cell loads in cellular networks, we formulate the following new, fundamental problem of statistical learning of geometric marks of point processes: An unknown marking function, depending on the geometry of…
Ladder polymers, known for their rigid, ladder-like structures, exhibit exceptional thermal stability and mechanical strength, positioning them as candidates for advanced applications. However, accurately determining their structure from…
In an ultrasonic array system, increasing the aperture size to achieve a high resolution requires more transmit and receive channels, thus making it essential to have an analysis technique that can reconstruct the shape and physical…