Related papers: Quantitative structure determination from experime…
Quantum shadow tomography based on the classical shadow representation provides an efficient way to estimate properties of an unknown quantum state without performing a full quantum state tomography. In scenarios where estimating the…
Atomic-resolution imaging with scanning transmission electron microscopy is a powerful tool for characterizing the nanoscale structure of materials, in particular features such as defects, local strains, and symmetry-breaking distortions.…
Small-angle scattering (SAS) is a key experimental technique for analyzing nano-scale structures in various materials.In SAS data analysis, selecting an appropriate mathematical model for the scattering intensity is critical, as it…
We lay the foundations for a new fast method to reconstruct the electron density in x-ray scanning applications using measurements in the dark field. This approach is applied to a type of machine configuration with fixed energy sensitive…
Materials with bespoke properties have long been identified by computational searches, and their experimental realisation is now coming within reach through autonomous laboratories. Scattering experiments are central to verifying the atomic…
The numerical algorithm of the inverse quantum scattering is developed. This algorithm is based on the Marchenko theory, and includes three steps. The first one is the algebraic Pade approximation of the unitary S-matrix, what is realized…
We report on ultrasonic imaging in a random heterogeneous medium. The goal is to detect flaws embedded deeply into a polycrystalline material. A 64-element array of piezoelectric transmitters/receivers at a central frequency of 5 MHz is…
Nuclear Magnetic Resonance (NMR) spectroscopy is particularly well-suited to determine the structure of molecules and materials in powdered form. Structure determination usually proceeds by finding the best match between experimentally…
The ability to reliably predict the structures and stabilities of a molecular crystal and its polymorphs without any prior experimental information would be an invaluable tool for a number of fields, with specific and immediate applications…
Determination of crystal structures of nanocrystalline or amorphous compounds is a great challenge in solid states chemistry and physics. Pair distribution function (PDF) analysis of X-Ray or neutron total scattering data has proven to be a…
Diffraction analysis in four dimensional scanning transmission electron microscopy now enables the mapping of local structures including symmetry, strain, and polarization of materials. However, measuring the distribution of these…
Quantum scattering at zero energy is studied with stochastic methods. A path integral representation for the scattering cross section is developed. It is demonstrated that Monte Carlo simulation can be used to compare effective potentials…
In this work we develop an experimental procedure to interrogate the single- and multiphoton scattering matrices of an unknown quantum system interacting with propagating photons. Our proposal requires coherent state laser or microwave…
The solution of the classical Fermi problem of low-energy neutron scattering by nuclei, when the excitations of the nuclei in scattering processes are taken into account, is found by the method of zero-range potentials with inner structure.…
We investigate the scattering phenomena produced by a general finite-range nonseparable potential in a multi-channel two-probe cylindrical nanowire heterostructure. The multi-channel current scattering matrix is efficiently computed using…
Electron density prediction stands as a cornerstone challenge in molecular systems, pivotal for various applications such as understanding molecular interactions and conducting precise quantum mechanical calculations. However, the scaling…
A general machine learning architecture is introduced that uses wavelet scattering coefficients of an inputted three dimensional signal as features. Solid harmonic wavelet scattering transforms of three dimensional signals were previously…
Crystalline phase structure is essential for understanding the performance and properties of a material. Therefore, this study identified and quantified the crystalline phase structure of a sample based on the diffraction pattern observed…
In this work, we provide a complete description of the scattering matrix elements and electron energy spectrum in one dimensional PT-symmetric hybrid finite systems, using the characteristic determinant approach. We present an analytical…
X-ray as well as electron diffraction are powerful tools for structure determination of molecules. Studies on randomly oriented molecules in the gas-phase address cases in which molecular crystals cannot be generated or the interaction-free…