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The theoretical exploration of the phase diagrams of binary hydrides under pressure using \emph{ab initio} crystal structure prediction techniques coupled with first-principles calculations has led to the \emph{in silico} discovery of…
Cononsolvency is a phenomenon for which the solubility of a macromolecule decreases or even vanishes in the mixture of two good solvents. Although it has been widely applied in physicochemical, green chemical and pharmaceutical industry,…
The hydrodynamic stresses created by active particles can destabilise orientational order present in the system. This is manifested, for example, by the appearance of a bend instability in active nematics or in quasi-2-dimensional living…
In this paper we present a new thermodynamically consistent phase transition model describing the evolution of a liquid substance, e.g., water, in a rigid container $\Omega$ when we freeze the container. Since the density $\varrho_{2}$ of…
We report a study of the structure of droplets of colloidal gels containing dissolved sodium chloride. The components segregate and form intricate patterns. The salt crystalizes in fractal and multi-fractal dendritic forms which are…
By confining water in nanopores, so narrow that the liquid cannot freeze, it is possible to explore its properties well below its homogeneous nucleation temperature TH ~ 235 K. In particular, the dynamical parameters of water can be…
Water is essential for the activity of proteins. However, the effect of the properties of water on the behavior of proteins is only partially understood. Recently, several experiments have investigated the relation between the dynamics of…
Using molecular dynamics and thermodynamic integration, we report on the solvation process in water and in cyclohexane of seven polypeptides (GLY, ALA, ILE, ASN, LYS, ARG, GLU). The polypeptides are selected to cover the full hydrophobic…
Peculiarities of the defect modes of cholesteric liquid crystals (CLCs) with an isotropic/anisotropic defect inside are investigated. The influence of the defect layer thickness and its anisotropy of refraction, the influence of the system…
The molecular dynamics in the ambient-pressure solid phase of (1,1,2)-trichloroethane is studied by means of broadband dielectric spectroscopy and molecular dynamics simulations. The dielectric spectra of polycrystalline samples obtained by…
There exists a variety of theories of the glass transition and many more numerical models. But because the models need built-in complexity to prevent crystallization, comparisons with theory can be difficult. We study the dynamics of a…
When a rigid body collides with a liquid surface with sufficient velocity, it creates a splash curtain above the surface and entrains air behind the sphere, creating a cavity below the surface. While cavity dynamics have been studied for…
We report a new hydrogen clathrate hydrate synthesized at 1.2 GPa and 298 K documented by single-crystal X-ray diffraction, Raman spectroscopy, and first-principles calculations. The oxygen sublattice of the new clathrate hydrate matches…
The evaporation of a droplet induces variety of ordered patterns near the contact line between the droplet and a substrate. This pattern formation involves both the behavior of colloidal suspensions and interactions between a droplet and a…
The deuterium fractionation of water can serve as a tracer for the chemical and physical evolution of water during star formation and can constrain the origin of water in Solar System bodies. We determine the HDO/H$_2$O ratio in the inner…
In the present work, dielectric spectra of mixtures of diethylsulfoxide (DESO) and water are presented, covering a concentration range of 0.2 - 0.3 molar fraction of DESO. The measurements were performed at frequencies between 1 Hz and 10…
This paper reviews the research work on the liquid crystalline (LC) polymer vesicles (polymersomes), where the thermotropic nematic and smectic phases are displayed in the lyotropic bilayer polymer membrane. LC polymersomes possess the…
Systems of hard shapes crystallize due to entropy. How is entropy distributed among translational and rotational microscopic contributions? We answer this question by decomposing thermal fluctuation of crystals of hard hexagons into…
Direct observations of the surface and shape of model nano-colloidal gels associated with measurements of the spatial distribution of water content during drying show that air starts to significantly penetrate the sample when the material…
Hydrogen sulfide (H2S) is a prototype molecular system and a sister molecule of water. The phase diagram of solid H2S at high pressures remains largely unexplored arising from the challenges in dealing with the looser S-H bond and larger…