Related papers: Designing Multivalent Copolymers for Selective Tar…
Designing microwave absorbers with customized spectrums is an attractive topic in both scientific and engineering communities. However, due to the massive number of design parameters involved, the design process is typically time-consuming…
We present the algorithm for generating strictly saturated random sequential adsorption packings built of rounded polygons. It can be used to study various properties of such packings built of a wide variety of different shapes and in…
We consider the adsorption kinetics of a regular block-copolymer of total length $N$ and block size $M$ at a selective liquid-liquid interface in the limit of strong localization. We propose a simple analytic theory based on scaling…
Targeted drug delivery relies on two physical processes: the selective binding of a therapeutic particle to receptors on a specific cell membrane, followed by transport of the particle across the membrane. In this article, we address some…
Lattice model of directed self avoiding walk is used to investigate adsorption properties of a semiflexible sequential copolymer chain on an impenetrable curved surface on a hexagonal lattice in two dimensions. Walks of the copolymer chains…
Thermoresponsive polymer architectures have become integral building blocks of 'smart' functional materials in modern applications. For a large range of developments, e.g., for drug delivery or nanocatalytic carrier systems, the selective…
We propose a solution strategy for a multimaterial minimum compliance topology optimization problem, which consists in finding the optimal allocation of a finite number of candidate (possibly anisotropic) materials inside a reference…
We study the adsorption of homogeneous or heterogeneous polymers onto heterogeneous planar surfaces with exponentially decaying site-site correlations, using a variational reference system approach. As a main result, we derive simple…
Using a statistical mechanical model and numerical simulations, we provide the design principle for the bridging strength ($\xi$) and linker density ($\rho$) dependent superselectivity in linker-mediated multivalent nanoparticle adsorption.…
We investigate the adsorption of a flexible polymer at a hexagonally patterned monolayer. All conformational polymer phases are identified, which enables the construction of a hyperphase diagram, parameterized by temperature and monolayer…
To perform recognition, molecules must locate and specifically bind their targets within a noisy biochemical environment with many look-alikes. Molecular recognition processes, especially the induced-fit mechanism, are known to involve…
Cell membranes interact via anchored receptor and ligand molecules. Central questions on cell adhesion concern the binding affinity of these membrane-anchored molecules, the mechanisms leading to the receptor-ligand domains observed during…
Membrane proteins and lipids can self-assemble into membrane protein polyhedral nanoparticles (MPPNs). MPPNs have a closed spherical surface and a polyhedral protein arrangement, and may offer a new route for structure determination of…
We present a design strategy for selecting the effective polarizability distribution for a metasurface aperture needed to form a desired radiation pattern. A metasurface aperture consists of an array of subwavelength metamaterial elements,…
Conformations of a crowded neutral semiflexible polymer under confinement near an attractive wall are studied via coarse-grained simulations. We study the effects of the interplay of the length of the polymer, bending rigidity, and the…
The presence of nanoparticles in a diblock copolymer leads to changes in the morphology and properties of the matrix and can produce highly organized hybrid materials. The resulting material properties depend not only on the polymer…
Mechanically bonded membranes of interlocked ring polymers are a significant generalization of conventional elastic sheets, where connectivity is provided by covalent bonding, and represent a promising class of topological meta-materials.…
Polymers play a crucial role in a wide array of applications due to their diverse and tunable properties. Establishing the relationship between polymer representations and their properties is crucial to the computational design and…
Copolymers are highly versatile materials with a vast range of possible chemical compositions. By using computational methods for property prediction, the design of copolymers can be accelerated, allowing for the prioritization of…
Synthetic copolymers and biopolymers, such as polypeptides and double-stranded DNA, often exhibit strong variations in bending stiffness along their contour, which can significantly impact conformational behavior at larger scales. To…