Related papers: An inverse cluster expansion or the chemical poten…
A behaviour of molecular cluster with Lennard-Jones potential of interactions as Hamiltonian system is studied by computer simulation (molecular dynamics method). It is shown that complex periodic oscillations of the cluster as a whole are…
A cluster expansion is proposed, that applies to both continuous and discrete systems. The assumption for its convergence involves an extension of the neat Kotecky-Preiss criterion. Expressions and estimates for correlation functions are…
Systems of particles interacting via inverse-power law potentials have an invariance with respect to changes in length and temperature, implying a correspondence in the dynamics and thermodynamics between different `isomorphic' sets of…
We review some recent progress on applications of Cluster Expansions. We focus on a system of classical particles living in a continuous medium and interacting via a stable and tempered pair potential. We review the cluster expansion in…
Machine learning interatomic potentials are revolutionizing large-scale, accurate atomistic modelling in material science and chemistry. Many potentials use atomic cluster expansion or equivariant message passing frameworks. Such frameworks…
We present a procedure to solve the inverse Ising problem, that is to find the interactions between a set of binary variables from the measure of their equilibrium correlations. The method consists in constructing and selecting specific…
We introduce a general framework to describe the stationary state of two driven systems exchanging particles or mass through a contact, in a slow exchange limit. The definition of chemical potentials for the systems in contact requires that…
We give a new criterion for a classical gas with a repulsive pair potential to exhibit uniqueness of the infinite volume Gibbs measure and analyticity of the pressure. Our improvement on the bound for analyticity is by a factor $e^2$ over…
We introduce a nonequilibrium grand-canonical ensemble defined by considering the stationary state of a driven system of particles put in contact with a nonequilibrium particle reservoir. At odds with its equilibrium counterpart, or with…
We estimate galaxy clustering under a modified gravitational potential. In particular, the modifications in gravitational potential energy occur due to a power-law and cosmological constant terms. We derive a canonical partition function…
We consider infinite-dimensional diffusions where the interaction between the coordinates has a finite extent both in space and time. In particular, it is not supposed to be smooth or Markov. The initial state of the system is Gibbs, given…
The chemical potential of the two-site Hubbard cluster (pair) embedded in the external electric and magnetic fields is studied by exact diagonalization of the Hamiltonian. The formalism of the grand canonical ensemble is adopted. The…
Coupled cluster theory is one of the most popular post-Hartree-Fock methods for ab initio molecular quantum chemistry. The finite-size error of the correlation energy in periodic coupled cluster calculations for three-dimensional insulating…
We present a completely new approach to the problem of interacting fluids, which we believe may provide important insights into microscopic mechanisms that lead to the occurrence of phase transitions. The approach exploits enumerative…
We consider several Hamiltonian systems perturbed by external agents, that preserve their Hamiltonian structure. We investigate the corrections to the canonical statistics resulting from coupling such systems with possibly large but finite…
A central problem in many-body quantum physics is the determination of the ground state of a thermodynamically large physical system. We construct a cluster expansion for ground states of local Hamiltonians, which naturally incorporates…
Based on thermodynamics, we study the galactic clustering of an expanding Universe by considering the logarithmic and volume (quantum) corrections to Newton's law along with the repulsive effect of a harmonic force induced by the…
Increasing inhomogeneity due to gravitational clumping reflects increasing gravitational entropy in a time evolving universe. Starting from an ensemble of uniformly distributed particles it is demonstrated that gravitational clustering is…
We propose a method based on cluster expansion to study the low activity/high temperature phase of a continuous particle system confined in a finite volume, interacting through a stable and finite range pair potential with negative minimum…
Isotropic pairwise interactions that promote the self assembly of complex particle morphologies have been discovered by inverse design strategies derived from the molecular coarse-graining literature. While such approaches provide an avenue…