Related papers: A perturbation theory for water with an associatin…
Continuing our investigation into the numerical properties of the Hierarchical Reference Theory, we study the square well fluid of range lambda from slightly above unity up to 3.6. After briefly touching upon the core condition and the…
We formulate a comprehensive hydrodynamic theory of two-dimensional liquid crystals with generic $p-$fold rotational symmetry, also known as $p-$atics, of which mematics $(p=2)$ and hexatics $(p=6)$ are the two best known examples. Previous…
Second-harmonic scattering experiments of water and other bulk molecular liquids have long been assumed to be insensitive to interactions between the molecules. The measured intensity is generally thought to arise from incoherent scattering…
The charge-transfer (CT) together with the polarization energy appears at second and higher orders in symmetry-adapted perturbation theory (SAPT). At present there is no theoretically compelling way of isolating the charge-transfer energy…
We apply second order Andersen-Weeks-Chandler perturbation theory to the one-component sticky-hard-spheres fluid. We compare the results with the mean spherical approximation, the Percus-Yevick approximation, two generalized Percus-Yevick…
This is a new book of quantum Hierarchic theory of condensed matter, general for liquids and solids, developed by this author during 20 years and its numerous applications. Computer program, based on new theory, was used for simulations of…
We analyse the symmetries and the self-consistent perturbative approaches of dynamical field theories for glassforming liquids. In particular, we focus on the time-reversal symmetry (TRS), which is crucial to obtain fluctuation-dissipation…
In adaptive resolution simulations, molecular fluids are modeled employing different levels of resolution in different subregions of the system. When traveling from one region to the other, particles change their resolution on the fly. One…
We report an analysis of the stretching peak appearing in the IR experimental spectra of liquid water. In the literature, ATR-IR spectroscopic measurements were repeatedly performed in a wide range of temperature and gave rise to a lively…
We use molecular dynamics computer simulations and nuclear magnetic resonance experiments to investigate the dynamics of water at interfaces of molecular roughness and low mobility. We find that, when approaching such interfaces, the…
We make use of the Lagrangian description of fluid motion to highlight certain features in the context of spacetime geometry as emergent phenomena in fluid systems. By using Lagrangian Perturbation Theory (LPT), we find that if the flow is…
We present a formulation of the multiconfigurational (MC) wave function symmetry-adapted perturbation theory (SAPT). The method is applicable to noncovalent interactions between monomers which require a multiconfigurational description, in…
We extend our study of all-order linearly resummed hydrodynamics in a flat space~\cite{1406.7222,1409.3095} to fluids in weakly curved spaces. The underlying microscopic theory is a finite temperature $\mathcal{N}=4$ super-Yang-Mills theory…
"Fluid polyamorphism" is the existence of different condensed amorphous states in a single-component fluid. It is either found or predicted, usually at extreme conditions, for a broad group of very different substances, including helium,…
A system of equations is developed for a fluid with non-abelian local gauge symmetry. Anisotropy is introduced by requiring that the symmetry breaking preserves a restricted local gauge symmetry about a given direction in the gauge…
In the standard perturbation theory (SPT) of self-gravitating Newtonian fluid in an expanding universe, recurrence relations for higher-order solutions are well known and play an important role both in practical applications and in…
In this paper, we develop a thermodynamic perturbation theory to describe the self-assembly of patchy colloids which exhibit both patch-patch attractions as well as patch / non-patch attractions. That is, patches attract other patches as…
Hydrodynamics can be formulated in terms of a perturbative series in derivatives of the temperature, chemical potential, and flow velocity around an equilibrium state. Different formulations for this series have been proposed over the…
A new consistent, spatially adaptive, smoothed particle hydrodynamics (SPH) method for Fluid-Structure Interactions (FSI) is presented. The method combines several attributes that have not been simultaneously satisfied by other SPH methods.…
Formation of local molecular structures in liquid water is believed to have marked effect on the bulk properties of water, however, resolving such structural motives in an experiment is challenging. This challenge might be handled if the…