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Recent developments in lipid membrane models for simulations are reviewed. To reduce computational costs, various coarse-grained molecular models have been proposed. Among them, implicit solvent (solvent-free) molecular models are…
We used numerical simulations based on the finite element method (FEM) to calculate both the amplitude and phase information of the scattered electric field from random rough surfaces, which can be directly compared to ellipsometric…
Surface roughness is a key factor when it comes to friction and wear, as well as to other physical properties. These phenomena are controlled by mechanisms acting at small scales, in which the topography of apparently-flat surfaces is…
Solutions of macromolecules can undergo liquid-liquid phase separation to form droplets with ultra-low surface tension. Droplets with such low surface tension wet and spread over common surfaces such as test tubes and microscope slides,…
The adsorption and desorption of reactants and products from a solid surface is essential for achieving sustained surface chemical reactions. At a liquid-solid interface, these processes can involve the collective reorganization of…
The symmetric simple exclusion process (SEP), where diffusive particles cannot overtake each other, is a paradigmatic model of transport in the single-file geometry. In this model, the study of currents has attracted a lot of attention, but…
We describe a two-level method for computing a function whose zero-level set is the surface reconstructed from given points scattered over the surface and associated with surface normal vectors. The function is defined as a linear…
A simple free-surface particle detection method for two and three-dimensional SPH simulation has been implemented. The method uses sphere representation for the SPH particle. The fluid domain is covered by overlapping spheres. A sphere…
Surface-Enhanced Raman Scattering (SERS) allows for detection and identification of molecular vibrational fingerprints in minute sample quantities. The SERS process can be also exploited for optical manipulation of molecular vibrations. We…
Surface creasing in swelling polymer gels is commonly attributed to compressive strain or interlayer mismatch, yet its general control remains unclear. Here we show that solvent polymerization degree $N_{\rm s}$ provides an independent…
Properly modeling and predicting the scattering response of a metasurface is a particularly challenging task. This has been shown to be especially difficult if the metasurface supports both local and nonlocal interactions, in the form of…
Calculating by analytical theory the deformation of finite-sized elastic bodies in response to internally applied forces is a challenge. Here, we derive explicit analytical expressions for the amplitudes of modes of surface deformation of a…
We propose a general impulsive model for scattering of molecules from a flat solid surface. It is assumed within the framework of this model that an encounter of an atom (or ion) with the surface is a series of elastic (in the direction…
Due to particle conservation, Canonical Molecular Dynamics (MD) simulations fail in the description of surface phase transitions involving coverage or lateral density changes. However, a step on the surface can act effectively as a source…
While metasurfaces (MSs) are constructed from deeply-subwavelength unit cells, they are generally electrically large and full-wave simulations of the complete structure are computationally expensive. Thus, to reduce this high computational…
Many modern data sets are sampled with error from complex high-dimensional surfaces. Methods such as tensor product splines or Gaussian processes are effective/well suited for characterizing a surface in two or three dimensions but may…
Soft Glassy Materials (SGM) consist in dense amorphous assemblies of colloidal particles of multiple shapes, elasticity, and interactions, which confer upon them solid-like properties at rest. They are ubiquitously encountered in modern…
We propose a methodology to generate hybrid machine learning models for the potential energy surface trained simultaneously on data from ab initio electronic structure calculations and on thermodynamic and/or structural observables from…
Slippery covalently attached liquid surfaces (SCALS) are a family of nanothin polymer layers with remarkably low static droplet friction, characterised by a low contact angle hysteresis (CAH$< 5 \deg$), which makes them ideally suited to…
Salient object detection has increasingly become a popular topic in cognitive and computational sciences, including computer vision and artificial intelligence research. In this paper, we propose integrating \textit{semantic priors} into…