Related papers: Structure determination from single-molecule X-ray…

Small angle X-ray scattering (SAXS) is extensively used in materials science as a way of examining nanostructures. The analysis of experimental SAXS data involves mapping a rather simple data format to a vast amount of structural models.…

The complex physics of the interaction between short pulse high intensity lasers and solids is so far hardly accessible by experiments. As a result of missing experimental capabilities to probe the complex electron dynamics and competing…

A brief review of the SIESTA project is presented in the context of linear-scaling density-functional methods for electronic-structure calculations and molecular-dynamics simulations of systems with a large number of atoms. Applications of…

Ultra-intense lasers that ionize and accelerate electrons in solids to near the speed of light can lead to kinetic instabilities that alter the laser absorption and subsequent electron transport, isochoric heating, and ion acceleration.…

Resonant Energy Transfer (RET) from an optically excited donor molecule (D) to a non-excited acceptor molecule (A) residing nearby is widely used to detect molecular interactions in living cells. Stoichiometric information, such as the…

X-ray Thomson scattering (XRTS) is a common diagnostic used in the warm dense matter (WDM) regime to estimate plasma parameters like density, temperature and charge state. Experimental analysis typically relies on a forward model to obtain…

The last decade has seen a renewed exploration of semiconductor materials for X-ray detection, foremost focusing on lead-based perovskites and other metal halides as direct-conversion materials and scintillators. However, the reported…

Since Perutz, Kendrew and colleagues unveiled the structure of hemoglobin and myoglobin based on X-ray diffraction analysis in the 1950s, X-ray crystallography has become the primary methodology used to determine the 3D structure of…

The low repetition rates and possible shot-to-shot variations in laser-plasma studies place a high value on single-shot diagnostics. For example, white-beam scattering methods based on broadband backlighter x-ray sources are used to…

Visual inspection of x-ray scattering images is a powerful technique for probing the physical structure of materials at the molecular scale. In this paper, we explore the use of deep learning to develop methods for automatically analyzing…

Incoherent surface scattering yields a statistical description of the surface, due to the ensemble averaging over many independently sampled volumes. Depending on the state of the surface and direction of the scattering vector relative to…

Considerable inroads have recently been made on algorithms to determine the sample potential from four-dimensional scanning transmission electron microscopy data from thick samples where multiple scattering cannot be neglected. This paper…

X-ray diffraction (XRD) data acquisition and analysis is among the most time-consuming steps in the development cycle of novel thin-film materials. We propose a machine-learning-enabled approach to predict crystallographic dimensionality…

The diffraction technique is widely used in the determination of crystal structures and is one of the bases for the modern science and technology. All related structure determination methods are based on the assumption that perfect single…

Femtosecond transient soft X-ray Absorption Spectroscopy (XAS) is a very promising technique that can be employed at X-ray Free Electron Lasers (FELs) to investigate out-of-equilibrium dynamics for material and energy research. Here we…

Solving crystal structures from kinematical X-ray or electron diffraction patterns of single crystals requires many more diffracted beams to be recorded than there are atoms in the structure, since the phases of the structure factors can…

Contraction Clustering (RASTER) is a single-pass algorithm for density-based clustering of 2D data. It can process arbitrary amounts of data in linear time and in constant memory, quickly identifying approximate clusters. It also exhibits…

The usage of x-ray free electron laser (XFEL) in femtosecond nanocrystallography involves sequential illumination of many small crystals of arbitrary orientation. Hence a wide radiation bandwidth will be useful in order to obtain and to…

The Rossi X-ray Timing Explorer (RXTE) has demonstrated that the dynamical variation of the X-ray emission from accreting neutron stars and stellar mass black holes is a powerful probe of their strong gravitational fields. At the same time,…

Radiation damage is considered to be the major problem that still prevents imaging an individual biological molecule for structural analysis. So far, all known mapping techniques using sufficient short wave-length radiation, be it X-rays or…