相关论文: Isomorph-based empirically modified hypernetted-ch…
Structural and thermodynamic properties of ionic fluids are related to those of a simpler ``mimic'' system with short ranged intermolecular interactions in a spatially varying effective field by use of Local Molecular Field (LMF) theory,…
We present a systematic framework for shortening and automating molecular dynamics equilibration through improved position initialization methods and uncertainty quantification analysis, using the Yukawa one-component plasma as an exemplar…
We derive formulas for the Coulomb matrix within the full-potential linearized augmented-plane-wave (FLAPW) method. The Coulomb matrix is a central ingredient in implementations of many-body perturbation theory, such as the Hartree-Fock and…
We formulate and test a hybrid fluid-Monte Carlo scheme for the treatment of elastic collisions in gases and plasmas. While our primary focus and demonstrations of applicability are for moderately collisional plasmas, as described by the…
We investigate crystal nucleation in supersaturated colloid suspensions using enhanced molecular dynamics simulations augmented with machine learning techniques. The simulations reveal that crystallization in the model colloidal system…
Thermodynamics of weakly screened (near the one-component-plasma limit) Yukawa fluids in two and three dimensions is analyzed in detail. It is shown that the thermal component of the excess internal energy of these fluids, when expressed in…
Strongly coupled systems occupying the transitional range between the Wigner crystal and fluid phases are most dynamic constituents of the nature. Highly localized but strongly interacting elements in this phase posses enough thermal energy…
Explicit analytical expressions for Helmholtz free energy, chemical potential, entropy and pressure of the multi-component dimerizing Yukawa hard-sphere fluid are presented. These expressions are written in terms of the Blum's scaling…
The one-component plasma (OCP) represents the simplest statistical mechanical model of a Coulomb system. For this reason, it has been extensively studied over the last forty years. The advent of the integral equations has resulted in a…
In this paper we revisit the one-dimensional tunneling problem. We consider Kemble's approximation for the transmission coefficient. We show how this approximation can be extended to above-barrier energies by performing the analytical…
A thermodynamically consistent density functional-perturbation theory is used to study the isostructural solid-to-solid transition which takes place in the hard sphere/attractive Yukawa system when the Yukawa tail is sufficiently…
Isomorphs are curves in the thermodynamic phase diagram of invariant excess entropy, structure, and dynamics, while pseudoisomorphs are curves of invariant structure and dynamics, but not of the excess entropy. The latter curves have been…
Classical Coulomb systems at equilibrium, bounded by a plane dielectric wall, are studied. A general two-point charge correlation function is considered. Valid for any fixed position of one of the points, a new relation is found between the…
Algorithms based on normalizing flows are emerging as promising machine learning approaches to sampling complicated probability distributions in a way that can be made asymptotically exact. In the context of lattice field theory,…
The existence of a discontinuity in the inverse dielectric constant of the two-dimensional Coulomb gas is demonstrated on purely numerical grounds. This is done by expanding the free energy in an applied twist and performing a finite-size…
In this paper we revisit the one-dimensional tunnelling problem. We consider different approximations for the transmission through the Coulomb barrier in heavy ion collisions at near-barrier energies. First, we discuss approximations of the…
We show that the idea of mapping between the Newtonian and Brownian diffusivities proposed and tested on a class of particle systems interacting via soft and ultra-soft potentials (IPL, Gaussian core, Hertzian, and effective star-polymer)…
A field theoretic representation of the classical partition function is derived for a system composed of a mixture of anisotropic and isotropic mobile charges that interact {\sl via} long range Coulomb and short range nematic interactions.…
The correlation buildup and the formation dynamics of the shell structure in a spherically confined one-component plasma are studied. Using Langevin dynamics simulations the relaxation processes and characteristic time scales and their…
Greene, Morrison and Plesser \cite{GMP} have recently suggested a general method for constructing a mirror map between a $d$-dimensional Calabi-Yau hypersurface and its mirror partner for $d > 3$. We apply their method to smooth…