Related papers: On the Helix-coil Transition in Alanine-based Poly…
The coil-globule transition has been studied for A-B copolymer chains both by means of lattice Monte Carlo simulations using bond fluctuation algorithm and by a numerical self-consistent field method. Copolymer chains of fixed length with A…
Multicomponent nitrides are a hot research topic in the search of hard coatings. The effect of substitutions on the phase stabilities, magnetic, and elastic properties of $Al_{1-x-y}Cr_{x}Ti_{y}N$ $(0\leq x,y\leq1)$ was studied using first…
Segments with the amino acid sequence EKAYLRT appear in natural occurring proteins both in $\alpha$-helices and $\beta$-sheets. For this reason, we have use this peptide to study how secondary structure formation in proteins depends on the…
We studied the formation of the liquid-crystalline (LC) phase in a poly(di-n-hexylsilane)(PDHS) film at the heating above the thermochromic transition temperature and its evolution.
Model chains are studied via Monte Carlo simulations which are deposited with a fixed flux on a substrate. They may represent, e.g., stiff lipophilic chains with an head group and tail groups mimicking the alkyl chain. After some subsequent…
We report results concerning the destabilisation of supported phospholipid bilayers in a well-defined geometry. When heating up supported phospholipid membranes deposited on highly hydrophilic glass slides from room temperature (i.e. with…
A method for the study of the electronic transport in strongly coupled electron-phonon systems is formalized and applied to a model of polyyne chains biased through metallic Au leads. We derive a stationary non equilibrium polaronic theory…
Tuning the chain-end functionality of a short-chain cationic homopolymer, owing to the nature of the initiator used in the ATRP polymerisation step, can be used to mediate the formation of a gel of this poly(electrolyte) in water. While a…
Synthetic virus-like particles (VLP), designed from simplified building blocks, can reduce the complexity of native viral proteins and be tailored for specific applications. Using molecular dynamics simulations, we investigate the role of…
Using Langevin simulations, we find that simple 'generic' bead-and-spring homopolymer chains in a sufficiently bad solvent spontaneously develop helical order during the process of collapsing from an initially stretched conformation. The…
We probed the charge transfer interaction between the amine-containing molecules: hydrazine, polyaniline and aminobutyl phosphonic acid, and carbon nanotube field effect transistors (CNTFETs). We successfully converted p-type CNTFETs to…
The ALICE experiment is dedicated to the study of the Quark-Gluon Plasma (QGP), a state of matter where, due to high temperature and density, quarks and gluons are deconfined. One of the probes studied to investigate this state of matter is…
We report idealized mode-coupling theory results for the glass transition of ensembles of model fullerenes interacting via phenomenological two-body potentials. Transition lines are found for C60, C70 and C96 in the temperature-density…
We review five years of experimental and theoretical attempts (2020-2025) to enhance the superconducting critical temperature ($\textit{T$_c$}$) of hydrogen-rich compounds by alloying binary superhydrides with additional elements. Despite…
We have performed multicanonical computer simulations of a small system of short protein-like heteropolymers and found that their aggregation transition possesses similarities to first-order phase separation processes. Not being a phase…
Labyrinthine patterns arise in two-dimensional physical systems submitted to competing interactions, ranging from the fields of solid-state physics to hydrodynamics. For systems of interacting particles, labyrinthine and stripe phases were…
Alkali halides $MX$, have been viewed as typical ionic compounds, characterized by 1:1 ratio necessary for charge balance between M$^+$ and X$^-$. It was proposed that group I elements like Cs can be oxidized further under high pressure.…
Riboswitches are structured mRNA elements that modulate gene expression. They undergo conformational changes triggered by highly specific interactions with sensed metabolites. Among the structural rearrangements engaged by riboswitches, the…
Protein$\alpha$-helices provide an ordered biological environment that is conducive to soliton-assisted energy transport. The nonlinear interaction between amide I excitons and phonon deformations induced in the hydrogen-bonded lattice of…
In this work we consider black hole solutions to Einstein theory coupled to a nonlinear power-law electromagnetic field with a fixed exponent value. We study the extended phase space thermodynamics in canonical and grand canonical ensembles…