Related papers: Control of superselectivity by crowding in three-d…
Simulating percolation and critical phenomena of labelled species inside films composed of single-component linear homogeneous macromolecules using molecular Monte Carlo method in 3 dimensions, we study dependence of these conducting…
Recent experiments with droplets impacting a macro-textured superhydrophobic surfaces revealed new regimes of bouncing with a remarkable reduction of the contact time. We present here a comprehensive numerical study that reveals the physics…
Protein aggregation in cell membrane is vital for the majority of biological functions. Recent experimental results suggest that transmembrane domains of proteins such as $\alpha$-helices and $\beta$-sheets have different structural…
The activity of biological cells is primarily based on chemical reactions and typically modeled as a reaction-diffusion system. Cells are, however, highly crowded with macromolecules, including a variety of molecular machines such as…
Machine learning has the potential to automate molecular design and drastically accelerate the discovery of new functional compounds. Towards this goal, generative models and reinforcement learning (RL) using string and graph…
Monte Carlo computer simulations are used to study the segregation behaviour of two polymers under cylindrical confinement. Using a multiple-histogram method, the conformational free energy, F, of the polymers was measured as a function of…
For short DNA molecules in crowded environments, we evaluate macroscopic parameters such as the average end-to-end distance and the twist conformation by tuning the strength of the site specific confinement driven by the crowders. The…
We study by extensive Monte Carlo simulations the effect of random bond dilution on the phase transition of the three-dimensional 4-state Potts model which is known to exhibit a strong first-order transition in the pure case. The phase…
Extensive molecular dynamics simulations were conducted to explore the conformational phase diagram of a neutral polymer in the presence of attractive crowders of varying sizes. For weakly self-attractive polymers, larger crowders induce a…
The interplay between inter- and intra-chain charge transport in bulk polythiophene in the hopping regime has been clarified by studying the conductivity as a function of frequency (up to 3 THz), temperature and doping level. We present a…
The search for high-affinity aptamers for targets such as proteins, small molecules, or cancer cells remains a formidable endeavor. Systematic Evolution of Ligands by EXponential Enrichment (SELEX) offers an iterative process to discover…
Many complex networks, ranging from social to biological systems, exhibit structural patterns consistent with an underlying hyperbolic geometry. Revealing the dimensionality of this latent space can disentangle the structural complexity of…
We perform large scale three-dimensional molecular dynamics simulations of unlinked and unknotted ring polymers diffusing through a background gel, here a three-dimensional cubic lattice. Taking advantage of this architecture, we propose a…
We report on the observation of confinement-induced resonances for strong three-dimensional (3D) confinement in a lattice potential. Starting from a Mott-insulator state with predominantly single-site occupancy, we detect loss and heating…
Biological cells use droplets to separate components and spatially control their interior. Experiments demonstrate that the complex, crowded cellular environment affects the droplet arrangement and their sizes. To understand this behavior,…
Superexponential systems are characterized by a potential where dynamical degrees of freedom appear in both the base and the exponent of a power law. We explore the scattering dynamics of many-body systems governed by superexponential…
Superconductivity has been induced in insulating ultra-thin films of amorphous bismuth using the electric field effect. The screening of electron-electron interaction was found to increase with electron concentration in a manner correlated…
An interesting first order type phase transition between Mott lobes has been reported in Phys. Rev. Lett. 109, 135302 (2012) for a two-dimensional Bose-Hubbard model in the presence of attractive three-body interaction. We re-visit the…
Alignment interactions in active matter are typically modeled as relaxational dynamics toward local consensus. In unbounded systems, this makes alignment effectively decoupled from local density and therefore unable to sustain self-confined…
When a thin sheet is crushed into a small three-dimensional volume, it invariably forms a structure with a low volume fraction but high resistance to further compression. Being a far-from-equilibrium process, forced crumpling is not…