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The hydrodynamic effects of macromolecular crowding inside cells is often studied in vitro by using polymers as crowding reagents. Confinement of polymers inside cell-sized droplets has been shown to affect the diffusion of small molecules.…
Motivated by the rapid experimental progress in twisted van der Waals materials, we study the triangular trimer model as a representative framework for extended Wannier orbitals in twisted bilayer graphene at 1/3-filling. This deceptively…
Recently developed linker-mediated vitrimers based on metathesis of dioxaborolanes with various commercially available polymers have shown both good processability and outstanding performance, such as mechanical, thermal, and chemical…
Stripe and columnar patterns were experimentally found in photopolymer films during irradiation of collimated UV light. We propose a mathematical model of photopolymerization, perform numerical simulation, and find a spatially periodic…
The spatio-temporal organization of proteins and the associated morphological changes in membranes are of importance in cell signaling. Several mechanisms that promote the aggregation of proteins at low cell surface concentrations have been…
A model of postphotodissociative monomolecular (geminate) recombination of heme proteins with small ligands (NO, O2 or CO) is represented. The non-exponential decay with time for the probability to find a heme in unbound state is…
Determining the structure of a protein has been a decades-long open question. A protein's three-dimensional structure often poses nontrivial computation costs, when classical simulation algorithms are utilized. Advances in the transformer…
Liquid mixtures composed of colloidal particles and much smaller non-adsorbing linear homopolymers can undergo a gelation transition due to polymer-mediated depletion forces. We now show that the addition of linear polymers to suspensions…
In this work we studied polymerization-induced self-assembly by means of computer simulations. Using this model, phase diagrams of the micelle states were constructed depending on the polymer concentration and the asymmetry of the…
Young massive stars are usually found embedded in dense and massive molecular clumps which are known for being highly obscured and distant. During their formation process, the degree of deuteration can be used as a potential indicator of…
We study the transition of a granular packing from liquid to solid bonding in the course of drying. The particles are initially wetted by a liquid brine and the cohesion of the packing is ensured by capillary forces, but the crystallization…
We study the mechanism of loop condensation in the quantum dimer model on the triangular lattice. The triangular lattice quantum dimer model displays a topologically ordered quantum liquid phase in addition to conventionally ordered phases…
Determining protein structures at an atomic level remains a significant challenge in structural biology. We introduce $\texttt{RecCrysFormer}$, a hybrid model that exploits the strengths of transformers with the aim of integrating…
We study whether fine discretization (i.e., terracing) of continuous pair interactions, when used in combination with first-order mean-spherical approximation theory, can lead to a simple and general analytical strategy for predicting the…
Swimming bacteria create long-range velocity fields that stir a large volume of fluid and move around passive particles dispersed in the fluid. Recent experiments and simulations have shown that long-time mean-squared displacement of…
The settling of heavy spherical particles in a column of quiescent fluid is investigated. The performed experiments cover a range of Galileo numbers ($110 \leq \text{Ga} \leq 310$) for a fixed density ratio of $\Gamma = \rho_p/\rho_f =…
The role of major mergers in galaxy evolution remains a key open question. Existing empirical merger identification methods use non-parametric and subjective visual classifications which can pose systematic challenges to constraining merger…
We present a computational study on the folding and aggregation of proteins in aqueous environment, as function of its concentration. We show how the increase of the concentration of individual protein species can induce a partial unfolding…
Experimental results have shown that the kinetics of bond formation in chemical crosslinking of gelatin solutions is strongly affected not only by gelatin and reactant concentrations but also by the solution pH. We present an extended…
Biomolecular condensates are formed via liquid-liquid phase separation of proteins, often together with nucleic acids, typically driven by interactions between low-affinity binding sites. The computational study of such condensates that…