Related papers: Geometry Selects Highly Designable Structures
Understanding the complex self-assembly of biomacromolecules is a major outstanding question. Microtubules are one example of a biopolymer that possesses characteristics quite distinct from standard synthetic polymers that are derived from…
The effect of different Monte Carlo move sets on the the folding kinetics of lattice polymer chains is studied from the geometry of the conformation-network. The networks have the characteristics of small- world. The Monte Carlo move, rigid…
On the study of protein folding, our understanding about the protein structures is limited. In this paper we find one way to characterize the compact structures of lattice protein model. A quantity called Partnum is given to each compact…
We experimentally and numerically study the precise role of geometry for the mechanics of biholar metamaterials, quasi-2D slabs of rubber patterned by circular holes of two alternating sizes. We recently showed how the response to uniaxial…
The search for materials with topological properties is an ongoing effort. In this article we propose a systematic statistical method supported by machine learning techniques that is capable of constructing topological models for a generic…
Highly-regular graphs can be regarded as a combinatorial generalization of distance-regular graphs. From this standpoint, we study combinatorial aspects of highly-regular graphs. As a result, we give the following three main results in this…
The capacity to custom tailor the properties of quantum matter and materials is a central requirement for enlarging their range of possible functionalities. A particularly promising route is the use of driving protocols to engineer specific…
We examine the diffraction properties of lattice dynamical systems of algebraic origin. It is well-known that diverse dynamical properties occur within this class. These include different orders of mixing (or higher-order correlations), the…
We have performed multicanonical simulations of hydrophobic-hydrophilic heteropolymers with two simple effective, coarse-grained off-lattice models to study the influence of specific interactions in the models on conformational transitions…
Model order reduction provides low-complexity high-fidelity surrogate models that allow rapid and accurate solutions of parametric differential equations. The development of reduced order models for parametric \emph{nonlinear} Hamiltonian…
Packing problems, which ask how to arrange a collection of objects in space to meet certain criteria, are important in a great many physical and biological systems, where geometrical arrangements at small scales control behaviour at larger…
The dynamics on a chaotic attractor can be quite heterogeneous, being much more unstable in some regions than others. Some regions of a chaotic attractor can be expanding in more dimensions than other regions. Imagine a situation where two…
Flexible mechanical metamaterials possess repeating structural motifs that imbue them with novel, exciting properties including programmability, anomalous elastic moduli and nonlinear and robust response. We address such structures via…
Applying multicanonical simulations we investigated folding properties of off-lattice heteropolymers employing a mesoscopic hydrophobic-polar model. We study for various sequences folding channels in the free-energy landscape by comparing…
Protein design is the inverse approach of the three-dimensional (3D) structure prediction for elucidating the relationship between the 3D structures and amino acid sequences. In general, the computation of the protein design involves a…
Topological materials (TMs) are well-known for their topological protected properties. Phononic system has the advantage of direct observation and engineering of topological phenomena on the macroscopic scale. For the inverse design of 3D…
The structure, lattice dynamics and mechanical properties of the magnesium hydroxide have been investigated with static density functional theory calculations as well as \it {ab initio} molecular dynamics. The hypothesis of a superstructure…
For a large class of inhomogeneous interacting particle systems (IPS) on a lattice we develop a rigorous method for mapping them onto homogeneous IPS. Our novel approach provides a direct way of obtaining the statistical properties of such…
Questions surrounding the spatial disposition of particles in various condensed-matter systems continue to pose many theoretical challenges. This paper explores the geometric availability of amorphous many-particle configurations that…
The optimal use of resources has motivated the engineering community to employ controlled distribution of material within their structural designs, often relying on cellular and lattice porous structures. In this research work, a…