Related papers: Computational Approaches to Model X-ray Photon Cor…
Resonant inelastic X-ray scattering (RIXS) has become an important scientific tool. Nonetheless, conventional high-resolution RIXS measurements (<100 meV), especially in the soft x-ray range, require large and low-throughput grating…
Scanning fluorescence correlation spectroscopy (SFCS) with a scan path perpendicular to the membrane plane was introduced to measure diffusion and interactions of fluorescent components in free standing biomembranes. Using a confocal laser…
The theoretical calculation of the interaction of electromagnetic radiation with matter remains a challenging problem for contemporary $ab$ $initio$ electronic structure methods, in particular for x-ray spectroscopies. This is not only due…
We demonstrate computerized tomography (CT) reconstructions from absorption, phase and dark-field signals obtained from scans acquired when the x-ray probe light is modulated with speckle. Two different interlaced schemes are proposed to…
We have developed a simulation-based method of spectral analysis for pile-up affected data of X-ray CCDs without any loss of photon statistics. As effects of the photon pile-up appear as complicated nonlinear detector responses, we employ a…
We investigate the deeply virtual Compton scattering (DVCS) in the color dipole approach, implementing the dipole cross section through the saturation model, which interpolates successfully between soft and hard regimes. The imaginary and…
Coherent X-ray scattering (CXS) techniques are capable of interrogating dynamics of nano- to mesoscale materials systems at time scales spanning several orders of magnitude. However, obtaining accurate theoretical descriptions of complex…
Single-shot coherent diffractive imaging (CDI) using intense XUV and soft X-ray pulses holds the promise to deliver information on the three dimensional shape as well as the optical properties of nano-scale objects in a single diffraction…
Traditional x-ray photoelectron spectroscopy (XPS) relies upon a direct mapping between the photoelectron binding energies and the local chemical environment, which is well-characterized by an electrostatic partial charges model for systems…
Vibrational spectroscopy is a powerful technique to characterize the near-equilibrium dynamics of molecules in the gas- and the condensed-phase. This contribution summarizes efforts from computer-based methods to gain insight into the…
To date X-ray spectroscopy has become a routine tool that can reveal highly local and element-specific information on the electronic structure of atoms in complex environments. Here, we focus on nuclear dynamical effects in X-ray spectra…
We propose a novel approach for pixel classification in hyperspectral images, leveraging on both the spatial and spectral information in the data. The introduced method relies on a recently proposed framework for learning on distributions…
Inelastic x-ray scattering (IXS) now a widely used technique for studying the dynamics of electrons in condensed matter. We previously posed a solution to the phase problem for IXS [P. Abbamonte, et. al., Phys. Rev. Lett. {\bf 92}, 237401…
Understanding how laser pulses compress solids into high-energy-density states requires diagnostics that simultaneously resolve macroscopic geometry and nanometer-scale structure. Here we present a combined X-ray imaging (XRM) and…
Vibrational spectroscopy is a cornerstone technique for molecular characterization and offers an ideal target for the computational investigation of molecular materials. Building on previous comprehensive assessments of efficient methods…
Fluorescence Correlation Spectroscopy (FCS) is widely used to detect and quantify diffusion processes at the molecular level. The molecules of which diffusion is studied are marked with fluorescent dyes. It is commonly maintained that this…
X-ray absorption spectroscopy yields direct access to the electronic and geometric structure of hybrid inorganic-organic interfaces formed upon adsorption of complex molecules at metal surfaces. The unambiguous interpretation of…
Laser dynamics underpin a broad range of modern photonic technologies and continue to reveal rich nonlinear behaviors. However, existing spectroscopic tools, most notably time-stretched dispersive Fourier transform spectroscopy (TS-DFT),…
The proliferation of new types of drugs necessitates the urgent development of faster and more accurate detection methods. Traditional detection methods have high requirements for instruments and environments, making the operation complex.…
We present a new theoretical approach for the simulations of X-ray photoelectron spectra of strongly correlated molecular systems that combines multireference algebraic diagrammatic construction theory (MR-ADC) [J. Chem. Phys., 2018, 149,…