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It has been proposed that the superconducting transition temperature $T_{\mathrm{c}}$ of an unconventional superconductor with a large pairing scale but strong phase fluctuations can be enhanced by coupling it to a metal. However, the…
This paper describes the mechanism of defect-mediated relaxation in a dodecagonal square-triangle random tiling phase exhibited by a simulated binary mixture of soft discs in 2D. We examine the internal transitions within the elementary…
We have studied the enhancement of the superconducting transition temperature, Tc, in a t-J-U model of electrons moving on a square lattice in which anisotropic electronic hopping is introduced. The inclusion of such hopping mimics, in a…
A simple model for the formation of the polymer-enzyme conjugates has been proposed and described using corresponding extension of the Wertheim's first-order thermodynamic perturbation theory (TPT1) for the system of associating chain…
We present results on the dynamics of the distorted diamond chain, S=1/2 dimers alternating with single spins 1/2 and exchange couplings $J_1$ and $J_3$ in between. The dynamics in the spin fluid (SF) and tetramer-dimer (TD) phases is…
An innovative method is proposed to generate configurations of coarse grained models for polymer melts. This method, largely inspired by chemical ``radical polymerization'', is divided in three stages: (i) nucleation of radicals (reacting…
We investigate the folding and forced-unbinding transitions of adsorbed semiflexible polymer chains using theory and simulations. These processes describe biologically relevant phenomena that include adhesive interactions between proteins…
If many micelles adsorb onto the same polymer molecule then they are said to form a necklace. A minimal model of such a necklace is proposed and shown to be almost equivalent to a 1-dimensional fluid with nearest-neighbour interactions. The…
Copolymerization is commonly employed to tune polymers' glass formation and improve properties such as ion conductivity and adhesion. Classically, mixing rules such as the Fox equation are employed to explain glass transition temperature…
By means of extensive replica-exchange simulations of generic coarse-grained models for helical polymers, we systematically investigate the structural transitions into all possible helical phases for flexible and semiflexible elastic…
Using molecular dynamics we investigate the thermodynamics, dynamics and structure of 250 diatomic molecules interacting by a core-softened potential. This system exhibits thermodynamics, dynamics and structural anomalies: a maximum in…
Far from being a passive information store, the genome is a mechanically dynamic and diverse system in which torsion and tension fluctuate and combine to determine structure and help regulate gene expression. Much of this mechanical…
Hydrogen point defects in silicon still hold unsolved problems, whose disclosure is fundamental for future advances in Si technologies. Among the open issues is the mechanism for the condensation of atomic hydrogen into molecules in Si…
In view of recent intense experimental and theoretical interests in the biophysics of liquid-liquid phase separation (LLPS) of intrinsically disordered proteins (IDPs), heteropolymer models with chain molecules configured as self-avoiding…
We propose a generalized model of electronic structure modification in HTSC cuprates and ferropnictides under doping. In this model the role of doping consists in only a local change in the electronic structures of the parent phases of…
The presence of ordered structures such as helices in collapsed states of polymer chains is still an open question challenging physics and biology. In this work, we present a potential model for polymer chains with monomers that are not…
We use large scale molecular dynamics simulations of the isomerizations of azobenzene molecules diluted inside a simple molecular material, to investigate the effect of a modification of the cis isomer shape on the induced diffusion…
We have analyzed the equilibrium response of chain molecules to stretching. For a homogeneous sequence of monomers, the induced transition from compact globule to extended coil below the $\theta$-temperature is predicted to be sharp. For…
Dimer decimation scheme is introduced in order to study the kicked quantum systems exhibiting localization transition. The tight-binding representation of the model is mapped to a vectorized dimer where an asymptotic dissociation of the…
In a framework of a multi-phase transport model with both partonic and hadronic interactions, azimuthal correlations between trigger particles and associated scattering particles in Au + Au collisions at $\sqrt{s_{NN}}$ = 200 GeV/$c$ have…