Related papers: Introducing the Single-Atom Real-Space Global Mini…
We introduce and compare new compression approaches to obtain regularized solutions of large linear systems which are commonly encountered in large scale inverse problems. We first describe how to approximate matrix vector operations with a…
X-ray tomography is a reliable tool for determining the inner structure of 3D object with penetrating X-rays. However, traditional reconstruction methods such as FDK require dense angular sampling in the data acquisition phase leading to…
Real-space refinement of atomic models in macromolecular crystallography or in cryo electron microscopy fits a model to a map obtained experimentally. This requires generating model maps of a limited resolution which moreover may vary from…
Modern approaches to the search of Relative and Global minima of potential energy function of Biomacromolecular structures include techniques of combinatorial optimization like the study of Steiner Points and Steiner Trees. These methods…
We describe a robust and reliable fluorescence detector for single atoms that is fully integrated into an atom chip. The detector allows spectrally and spatially selective detection of atoms, reaching a single atom detection efficiency of…
A real-time image reconstruction method for scanning transmission electron microscopy (STEM) is proposed. With an algorithm requiring only the center of mass (COM) of the diffraction pattern at one probe position at a time, it is able to…
While electron microscopy offers crucial atomic-resolution insights into structure-property relationships, radiation damage severely limits its use on beam-sensitive materials like proteins and 2D materials. To overcome this challenge, we…
In single molecule localisation super-resolution microscopy the need for repeated image capture limits the imaging speed, while the size of fluorescence probes limits the possible theoretical localisation resolution. Here, we demonstrated a…
Single particle diffraction imaging experiments at free-electron lasers (FEL) have a great potential for structure determination of reproducible biological specimens that can not be crystallized. One of the challenges in processing the data…
We show how to speed up global optimization of molecular structures using machine learning methods. To represent the molecular structures we introduce the auto-bag feature vector that combines: i) a local feature vector for each atom, ii)…
A single atom strongly coupled to a cavity mode is stored by three-dimensional confinement in blue-detuned cavity modes of different longitudinal and transverse order. The vanishing light intensity at the trap center reduces the light shift…
A simple X-ray imaging system using off-the-shelf electronics and simple reconstruction algorithms aiming a spatial resolution of 1.7 mm ($\sim 3\,\%$ of the detector length) is described in this work. For this, two 100 cm$^2$ Gas Electron…
The number of photons available by coherent X-ray scattering from a single biomolecule is considerably less because of the extremely small elastic-scattering cross-section and low damage threshold. Even with a high X-ray flux of 3 x 10to 12…
X-ray ptychography is one of the versatile techniques for nanometer resolution imaging. The magnitude of the diffraction patterns is recorded on a detector and the phase of the diffraction patterns is estimated using phase retrieval…
We present a method for retrieving of single-active electron potential in an atom or molecule from a given momentum distribution of photoelectrons ionized by a strong laser field. In this method the potential varying within certain limits…
The ability to detect and size individual nanoparticles with high resolution is crucial to understanding behaviours of single particles and effectively using their strong size-dependent properties to develop innovative products. We report…
We propose an ambitious new method that models the intracluster medium in clusters of galaxies as a set of X-ray emitting smoothed particles of plasma. Each smoothed particle is described by a handful of parameters including temperature,…
We use first-principles computational methods to examine hole trapping in organic molecular crystals. We present a computational scheme based on the tuning of the fraction of exact exchange in hybrid density functional theory to eliminate…
Atomic force microscopy (AFM) with molecule-functionalized tips has emerged as the primary experimental technique for probing the atomic structure of organic molecules on surfaces. Most experiments have been limited to nearly planar…
X-ray dark-field imaging creates a representation of the sample where contrast is generated by subresolution features within the volume under inspection. These are detected by a local measurement of the radiation field's angular…