Related papers: Correlations in Systems of Complex Directed Macrom…
Roughness and orientational order in thin films of anisotropic particles are investigated using kinetic Monte Carlo simulations on a cubic lattice. Anisotropic next-neighbor interactions between the lattice particles were chosen to mimic…
Making use of a simplified model for protein folding, it can be shown that conformations which are particularly stable when their energy is minimized with respect to amino acid sequence (in the sense that they display a large energy gap to…
Matrix stiffness expressions are derived for the particle movements in an assembly of rigid granules having compliant contacts. The derivations include stiffness terms that arise from the particle shapes at their contacts. These geometric…
We compute the dynamic structure factors of a dense binary liquid mixture. These describe dynamics on molecular length scales, where structural relaxation is important. We find that the presence of a few large particles in a dense fluid of…
We present the results of a self-consistent, unified molecular dynamics study of simple model heteropolymers in the continuum with emphasis on folding, sequence design and the determination of the interaction parameters of the effective…
We review the physical properties of macromolecular networks, consisting of semiflexible polymers such as actin. We start by giving a theoretical analysis of the conformational statistics and mechanical response of single filaments.…
Directed and heterogeneous hypergraphs capture directional higher-order interactions with intrinsically asymmetric functional dependencies among nodes. As a result, damage to certain nodes can suppress entire hyperedges, whereas failure of…
Materials either have a high hardness or excellent ductility, but rarely both at the same time. Mo$_2$BC is one of the only crystalline materials that simultaneously has a high Vickers hardness and is also relatively ductile. The origin of…
Multivalent particles bind to targets via many independent ligand-receptor bonding interactions. This microscopic design spans length scales in both synthetic and biological systems. Classic examples include interactions between cells,…
By exact computer enumeration and combinatorial methods, we have calculated the designability of proteins in a simple lattice H-P model for the protein folding problem. We show that if the strength of the non-additive part of the…
The formation and dissociation of specific noncovalent interactions between a variety of macromolecules play a crucial role in the function of biological systems. During the last few years, three main lines of research led to a dramatic…
Recent advances in coarse-grained lattice and off-lattice protein models are reviewed. The sequence dependence of thermodynamical folding properties are investigated and evidence for non-randomness of the binary sequences of good folders…
We numerically show that molecules adsorbed in a soft porous crystal form a superlattice (SL) stabilized by elastic interactions. In a mechanically flexible honeycomb lattice model, when the elastic interactions between the next nearest…
A mesoscopic multi-component lattice Boltzmann model with short-range repulsion between different species and short/mid-ranged attractive/repulsive interactions between like-molecules is introduced. The interplay between these composite…
Probing dynamic and static correlation in glass-forming supercooled liquids has been a challenge for decades in spite of extensive research. Dynamic correlation which manifests itself as Dynamic Heterogeneity is ubiquitous in a vast variety…
Recurrence behavior of wave packets in coupled higher dimensional systems and periodically driven systems is analyzed, which takes place in the realm of higher coupling/modulation strength. We analyze the wave packet dynamics close to…
It is well known that the supersolid form of matter can arise in a single species of cold bosonic atoms in an optical lattice due to long range interactions. We present a scenario where a supersolid is induced in one of the components of a…
We investigate percolation on a randomly directed lattice, an intermediate between standard percolation and directed percolation, focusing on the isotropic case in which bonds on opposite directions occur with the same probability. We…
We use a recently developed lattice model to study the percolation of particles of different sizes and shapes in the presence of a polymer matrix. The polymer is modeled as an infinitely long semiflexible chain. We study the effects of the…
Driven vortex lattices have been studied in a material with strong pinning, such as Nb films. Samples in which natural random pinning coexists with artificial ordered arrays of defects (submicrometric Ni dots) have been fabricated with…