Related papers: Towards an effective potential for the monomer, di…
It is found experimentally that the coexistence region of a vapor-liquid system or a binary mixture is substantially narrowed when the fluid is confined in a aerogel with a high degree of porosity (e.g. of the order of 95% to 99%). A…
We propose a canonical tranformation approach to the effective interaction $W_{eff}$ between two holes, based on the three-band Hubbard model but ready to include extra interactions as well. An effective two-body Hamiltonian can in…
A new kind of the relativistic three-body equations for the three fermion systems are suggested. These equations are derived in the framework of the standard field-theoretical $S$-matrix approach in the time-ordered three dimensional form.…
If the constituent particles of fluid phases interact via long-ranged van der Waals forces, the effective Hamiltonian for \emph{interfaces} between such fluid phases contains - in lateral Fourier space - non-analytic terms $ \sim q^4 \ln…
We review recent simulation studies of interfaces between immiscible homopolymer phases. Special emphasis is given to the presentation of efficient simulation techniques and powerful methods of data analysis, such as the analysis of…
We develop an empirical potential for silicon which represents a considerable improvement over existing models in describing local bonding for bulk defects and disordered phases. The model consists of two- and three-body interactions with…
The possible functional forms of the effective conductivity sigma_{eff} of the randomly inhomogeneous two-phase system at arbitrary values of concentrations are discussed. A new functional equation, generalizing the duality relation, is…
A self-consistent many-body approach is proposed to build a first-principles crystal field theory, where crystal field parameters are calculated ab initio. Many-body theory is used to write the energy of the interacting system as a function…
Monolayer and multilayer graphene are promising materials for applications such as electronic devices, sensors, energy generation and storage, and medicine. In order to perform large-scale atomistic simulations of the mechanical and thermal…
In this paper we present an evolution of our derivation of the shell-model effective Hamiltonian, namely introducing effects of three-body contributions. More precisely, we consider a three-body potential at next-to-next-to-leading order in…
Correlated many-fermion systems emerge in a broad range of phenomena in warm dense matter, plasmonics, and ultracold atoms. Quantum hydrodynamics (QHD) complements common first-principles methods for many-fermion systems and enables…
One of the most powerful strategies to address properties of real many-body systems is to incorporate data obtained for models, for example, to use data of the homogeneous electron gas in order to build the Local Density Approximation for…
Hybrid particle-field methods are computationally efficient approaches for modelling soft matter systems. So far applications of these methodologies have been limited to constant volume conditions. Here, we reformulate particle-field…
Quantum simulations of complex fermionic systems suffer from a variety of challenging problems. In an effort to circumvent these challenges, simpler ``semi-classical'' approaches have been used to mimic fermionic correlations through a…
Fermionic cold atoms in optical traps provide viable quantum simulators of correlation effects in electronic systems. For dressed Rydberg atoms in two-dimensional traps with out-of-plane dipole moments, a realistic model of the pairwise…
We formulate the induced potential in a finite temperature cold atomic medium between two heavy impurities, or polarons, which is shown to be \textit{complex-valued} in general. The imaginary part of the complex-valued potential describes a…
We consider a phase-field model which describes the interactions between the blood flow and the thrombus. The latter is supposed to be a viscoelastic material. The potential describing the cohesive energy of the mixture is assumed to be of…
We investigate interfacial properties between two highly incompatible polymers of different stiffness. The extensive Monte Carlo simulations of the binary polymer melt yield detailed interfacial profiles and the interfacial tension via an…
In this work, a generalized force-field methodology for the relaxation of large moir\'e heterostructures is proposed. The force-field parameters are optimized to accurately reproduce the structural degrees of freedom of some computationally…
We propose an off-lattice model for a self-avoiding homopolymer chain with two different competing attractive interactions, mimicking the hydrophobic effect and the hydrogen bond formation respectively. By means of Monte Carlo simulations,…