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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…
In recent astrochemical studies it has become crucial to study all the complete conformational panorama of the molecule, some of which are potentially detectable in the interstellar medium (ISM). In this context, the isomeric ratio can be…
A multiscale scheme combining molecular dynamics (MD) and microscopic phase-field theory is proposed to study the structural phase transformations in solids with inhomogeneous strain field. The approach calculates strain response based on…
We present a metaheuristic conditional neural-network-based method aimed at identifying physically interesting metastable states in a potential energy surface of high rugosity. To demonstrate how this method works, we identify and analyze…
Stellar photometric variability and instrumental effects, like cosmic ray hits, data discontinuities, data leaks, instrument aging etc. cause difficulties in the characterization of exoplanets and have an impact on the accuracy and…
The Scanning Tunneling Microscope (STM) is a powerful instrument to study electronic density of states at surfaces down to atomic scale. Many interesting samples require studying variations as a function of the magnetic field, which is most…
High-index surfaces of silicon with adsorbed gold can reconstruct to form highly ordered linear step arrays. These steps take the form of a narrow strip of graphitic silicon. In some cases - specifically, for Si(553)-Au and Si(557)-Au - a…
The surface tunneling microscope (STM) method probes the itinerant conduction electron spectrum which is influenced by the presence of collective order parameters. It may in fact be used as a tool to obtain important information about their…
We identify an accretion disk atmosphere and corona from the high resolution X-ray spectrum of Hercules X-1, and we determine its detailed physical properties. More than two dozen recombination emission lines (from Fe XXVI at 1.78 A to N VI…
Scanning Surface Potential Microscopy (SSPM) is one of the most widely used techniques for the characterization of electrical properties at small dimensions. Applicability of SSPM and related electrostatic scanning probe microscopies for…
Thin molecular films under model conditions are often exploited as benchmarks and case studies to investigate the electronic and structural changes occurring on the surface of metallic electrodes. Here we show that the modification of a…
Phase-change materials (PCMs) can switch between different crystalline states as a function of an external bias, offering a pronounced change of their dielectric function. In order to take full advantage of these features for active…
Boosted by the relentless increase of available computational resources, high-throughput calculations based on first principles methods have become a powerful tool to screen a huge range of materials. The backbone of these studies are…
In order to detect the effect of the surface charge discreteness on the properties at the solid-liquid interface, molecular dynamics simulation model taking consideration of the vibration of wall atoms was used to investigate the ion and…
A spin-fermion model that captures the charge-transfer properties of Cu-based high critical temperature superconductors is introduced and studied via Monte Carlo simulations. The strong Coulomb repulsion among $d$-electrons in the Cu…
Photoemission orbital tomography (POT) is a powerful tool for investigating the orbitals and electronic band structure of oriented layers of organic molecules. In many cases, POT allows conclusions to be drawn regarding the geometric…
The flow of charge carriers in materials can, under some circumstances, mimic the flow of viscous fluids. In order to visualize the consequences of such effects, new methodologies must be developed that can probe the quasiparticle flow…
Broken symmetry is the essence of exotic properties in condensed matters. Tungsten ditelluride, WTe$_2$, exceptionally takes a non-centrosymmetric crystal structure in the family of transition metal dichalcogenides, and exhibits novel…
Molecular-scale diodes made from self-assembled monolayers (SAMs) could complement silicon-based technologies with smaller, cheaper, and more versatile devices. However, advancement of this emerging technology is limited by insufficient…
CO isotopologues are common tracers of the bulk molecular gas in extragalactic studies, providing insights into the physical and chemical conditions of the cold molecular gas, a reservoir for star formation. Since star formation occurs…