Related papers: Molecular multiresolution surfaces
An investigation of the effect of surface diffusion in random deposition model is made by analytical methods and reasoning. For any given site, the extent to which a particle can diffuse is decided by the morphology in the immediate…
The fundamental processes of biological development are governed by multiple signaling molecules that create non-uniform concentration profiles known as morphogen gradients. It is widely believed that the establishment of morphogen…
MSS is an algorithm to determine the radii and positions of spheres that fill a given volume. In the context of granular materials, MSS is a particle generator for DEM simulations of complex-shaped particles. Here, each particle of a given…
This document attempts to clarify potential confusion regarding electrostatics calculations, specifically in the context of biomolecular structure and specifically as regards the units typically used to contour/visualize isopotential…
Surface plasmons are usually described as surface waves with either a complex wavevector or a complex frequency. When discussing their merits in terms of field confinment or enhancement of the local density of states, controversies…
Molecular communication (MC) engineering is inspired by the use of chemical signals as information carriers in cell biology. The biological nature of chemical signaling makes MC a promising methodology for interdisciplinary applications…
The surrounding world surprises us by the beauty and variety of complex shapes that emerge from nanometric to macroscopic scales. Natural or manufactured materials (sandstones, sedimentary rocks and cement), colloidal solutions (proteins…
In the wake of intense research on metamaterials the two-dimensional analogue, known as metasurfaces, has attracted progressively increasing attention in recent years due to the ease of fabrication and smaller insertion losses, while…
Two-dimensional materials and their van der Waals heterostructures enable a large range of applications, including label-free biosensing. Lattice mismatch and work function difference in the heterostructure material result in strain and…
The multipole expansion has found limited applicability for optical dielectric resonators in inhomogeneous environment, such as on the surface of substrates. Here, we generalize the method of images to multipole analysis for light…
It has been recently proven that natural images exhibit scaling properties analogue to those of turbulent flows. These properties allow regarding each image as a multifractal object, for which its most singular manifold conveys the most of…
Molecular representation learning (MRL) is a key step to build the connection between machine learning and chemical science. In particular, it encodes molecules as numerical vectors preserving the molecular structures and features, on top…
We study surface effects in amorphous polymer systems by means of computer simulation. In the framework of molecular dynamics, we present two different methods to prepare such surfaces. {\em Free} surfaces are stabilized solely by…
We introduce a numerical method for reconstructing a multidimensional surface using the gradient of the surface measured at some values of the coordinates. The method consists of defining a multidimensional spline function and minimizing…
Molecular evolution is the process of simulating the natural evolution of molecules in chemical space to explore potential molecular structures and properties. The relationships between similar molecules are often described through…
We describe a new generation of algorithms capable of mapping the structure and conformations of macromolecules and their complexes from large ensembles of heterogeneous snapshots, and demonstrate the feasibility of determining both…
Living systems, particularly multicellular systems, often seem hopelessly complex. But recent studies have suggested that beneath this complexity, there may be unifying quantitative principles that we are only now starting to unravel. All…
Digital modeling of the microstructure is important for studying the physical and transport properties of porous media. Multiscale modeling for porous media can accurately characterize macro-pores and micro-pores in a large-FoV (field of…
Surfaces and curves play an important role in geometric design. In recent years, problem of finding a surface passing through a given curve have attracted much interest. In the present paper, we propose a new method to construct a surface…
The multiplexing capability of metasurfaces has been successfully demonstrated in applications such as holography and diffractive neural networks. However, identifying a suitable structure that simultaneously satisfies the phase…