Related papers: PySlice: Routine Vibrational Electron Energy Loss …
Phase-shaped electron energy-loss spectroscopy (PSEELS) measures the scattering probability of structured free electron beams by a target. Over the last decade, it was shown that this scheme can be employed to emulate polarized optical…
We propose to use the damping signal of an oscillating cantilever in dynamic atomic force microscopy as a noninvasive tool to study the vibrational structure of the substrate. We present atomically resolved maps of damping in carbon…
Recent research in materials science opens exciting perspectives to design novel quantum materials and devices, but it calls for quantitative predictions of properties which are not accessible in standard first principles packages. PAOFLOW…
Most adaptive optics (AO) systems using pyramid wavefront sensors (PyWFS) to estimate the phase of the pupil field use mechanical modulation of the beam in order to increase the dynamic range in low-order modes so the PyWFS can usefully…
In this paper, we introduce an approach to the protein folding problem from the point of view of statistical physics. Protein folding is a stochastic process by which a polypeptide folds into its characteristic and functional 3D structure…
Machine learning over-fitting caused by data scarcity greatly limits the application of machine learning for molecules. Due to manufacturing processes difference, big data is not always rendered available through computational chemistry…
We propose algorithms based on an optimisation method for inverse multislice ptychography in, e.g. electron microscopy. The multislice method is widely used to model the interaction between relativistic electrons and thick specimens. Since…
In this work, the temporal decay of electrons produced by an atmospheric pin-to-pin nanosecond discharge operating in the spark regime was measured via a combination of microwave Rayleigh scattering (MRS) and laser Rayleigh scattering…
We have developed a computational code, DynaPhoPy, that allow us to extract the microscopic anharmonic phonon properties from molecular dynamics (MD) simulations using the normal-mode-decomposition technique as presented by Sun et al. [T.…
Atomic vibrations control all thermally activated processes in materials including diffusion, heat transport, phase transformations, and surface chemistry. Recent developments in monochromated, aberration-corrected scanning transmission…
Correlation functions, such as static and dynamic structure factors, offer a versatile approach to analyzing atomic-scale structure and dynamics. By having access to the full dynamics from atomistic simulations, they serve as valuable tools…
Point-spread-function (PSF) engineering is a powerful computational imaging techniques wherein a custom phase mask is integrated into an optical system to encode additional information into captured images. Used in combination with deep…
We demonstrate the feasibility of coincidence measurements in a conventional transmission electron microscope, revealing the temporal correlation between electron energy loss spectroscopy (EELS) and energy dispersive X-ray (EDX)…
Physics-Informed Neural Networks present a novel approach in SciML that integrates physical laws in the form of partial differential equations directly into the NN through soft constraints in the loss function. This work studies the…
Time-resolved spectroscopy is an important tool for unraveling the minute details of structural changes of molecules of biological and technological significance. The nonlinear femtosecond signals detected for such systems must be…
Experimental data collected from a triple-axis spectrometer (TAS) are typically analysed by considering the instrument resolution, as the resolution of a TAS instrument is often complex and significantly influences the measured results. Two…
In recent decades, microelectromechanical systems (MEMS)-based gyroscopes have been employed to meet positioning and navigation demands of a plethora of commercially available devices. Most of such gyroscopes rely on electrostatic actuators…
The efficient and accurate calculation of how ionic quantum and thermal fluctuations impact the free energy of a crystal, its atomic structure, and phonon spectrum is one of the main challenges of solid state physics, especially when strong…
PyLlama is a handy Python toolkit to compute the electromagnetic reflection and transmission properties of arbitrary multilayered linear media, including the case of anisotropy. Relying on a $4 \times 4$-matrix formalism, PyLlama implements…
Background: Digital Image Correlation (DIC) is a widely used full-field measurement technique, but both open-source and commercial packages often have limitations such as operating-system restrictions, lack of support for deployment on…