Related papers: Multilayer atomic cluster expansion for semi-local…
In the present work we introduce a generalized lattice-gas model to study the multilayer adsorption of interacting polyatomics on heterogeneous surfaces. Using an approximation in the spirit of the well-known Brunauer--Emmet--Teller (BET)…
Anderson localization confines the wave function of a quantum particle in a one-dimensional random potential to a volume of the order of the localization length $\xi$. Nonlinear add-ons to the wave dynamics mimic many-body interactions on a…
We present a detailed analysis of the nature of electronic eigenfunctions in one-dimensional quasi-periodic chains based on a clustering idea recently introduced by us [Sil et al., Phys. Rev. {\bf B 48}, 4192 (1993) ], within the framework…
We consider the effects of local interactions upon quantum mechanically entangled systems. In particular we demonstrate that non-local correlations cannot increase through local operations on any of the subsystems, but that through the use…
Coordination in multi-agent systems is challenging for agile robots such as unmanned aerial vehicles (UAVs), where relative agent positions frequently change due to unconstrained movement. The problem is exacerbated through the individual…
We report observations of the self-assembly of coated droplets into regular clusters at the sudden expansion of a microfluidic channel. A double emulsion consisting of a regular train of coated microdroplets was created upstream of the…
We extend the scheme for that proposed by S. Mancini and S. Bose (Phys. Rev. A \QTR{bf}{70}, 022307(2004)) to the case of triple-atom. Under mean field approximation, we obtain an effective Hamiltonian of triple-body Ising-model…
We study contact posets and show that every contact poset can be embedded into a Boolean poset with overlap contact relation. Contact posets and (nonadditive) contact semilattices have the superamalgamation property, Fra\"\i ss\'e limits…
We numerically study models of $\mathrm{H}_2$ and $\mathrm{LiH}$ molecules, aligned collinearly with the linear polarization of the external field, to elucidate the possible role of correlation in the enhanced-ionization phenomena.…
We propose an extension of the Continuum Discretized Coupled Channels (CDCC) method, where the projectile is described by a microscopic cluster model. This microscopic generalization (MCDCC) only relies on nucleon-target interactions, and…
As a result of the application of coarse-graining procedures to describe complex fluids, the study of systems consisting of particles interacting through bounded, repulsive pair potentials has become of increasing interest in the last…
Machine-learned interatomic potentials hold the promise to enable the modeling of highly concentrated liquids over meaningful timescales, far from reach for current ab initio electronic structure methods. Here we evaluate the performances…
In alloys cluster expansions (CE) are increasingly used to combine first-principles electronic-structure and Monte Carlo methods to predict thermodynamic properties. As a basis-set expansion in terms of lattice geometrical clusters and…
The statistical thermodynamics of binary mixtures of polyatomic species was developed on a generalization in the spirit of the lattice-gas model and the quasi-chemical approximation (QCA). The new theoretical framework is obtained by…
In this work we introduce an Autoencoder for molecular conformations. Our proposed model converts the discrete spatial arrangements of atoms in a given molecular graph (conformation) into and from a continuous fixed-sized latent…
Cold atom arrays in optical lattices offer a highly tunable platform for exploring complex quantum phenomena that are difficult to realize in conventional materials. Here, we investigate the emergence of controllable long-range quantum…
Various corrections to the eikonal approximations are studied for two- and three-body nuclear collisions with the goal to extend the range of validity of this approximation to beam energies of 10 MeV/nucleon. Wallace's correction does not…
In recent years, many types of machine learning potentials (MLPs) have been introduced, which are able to represent high-dimensional potential-energy surfaces (PES) with close to first-principles accuracy. Most current MLPs rely on atomic…
In studying solidification process by simulations on the atomic scale, the modeling of crystal nucleation or amorphisation requires the construction of interatomic interactions that are able to reproduce the properties of both the solid and…
We first give a short review of the ``local-current approximation'' (LCA), derived from a general variation principle, which serves as a semiclassical description of strongly collective excitations in finite fermion systems starting from…