相关论文: Improved Gaussian self-consistent method - Applica…

We formulate a self-consistent procedure for calculation of thermodynamic and structural properties of polymer solutions based on the Gaussian equivalent representation method (GER) for functional integrals calculation beyond the mean-field…

In recent years, molecular dynamics (MD) simulations have emerged as a pivotal tool for understanding the structure, dynamics, and phase behavior in charged soft matter systems. To explore phenomena across greater length and time scales in…

We consider a Navier--Stokes--Allen--Cahn (NSAC) system that governs the compressible motion of a viscous, immiscible two-phase fluid at constant temperature. Weak solutions of the NSAC system dissipate an appropriate energy functional.…

Observations of exoplanet atmospheres in high resolution have the potential to resolve individual planetary absorption lines, despite the issues associated with ground-based observations. The removal of contaminating stellar and telluric…

We show that the Gaussian core model of particles interacting via a penetrable repulsive Gaussian potential, first considered by Stillinger (J. Chem. Phys. 65, 3968 (1976)), behaves like a weakly correlated ``mean field fluid'' over a…

When nonconforming discontinuous Galerkin methods are implemented for hyperbolic equations using quadrature, exponential energy growth can result even when the underlying scheme with exact integration does not support such growth. Using…

In this paper, we develop a high order structure-preserving local discontinuous Galerkin (DG) scheme for the compressible self-gravitating Euler equations, which pose great challenges due to the presence of time-dependent gravitational…

A finite difference numerical scheme is proposed and analyzed for the Cahn-Hilliard-Stokes system with Flory-Huggins energy functional. A convex splitting is applied to the chemical potential, which in turns leads to the implicit treatment…

We expand on a recently introduced alternate framework for $GW$ simulation of charged excitations [Scott et. al., J. Chem. Phys., 158, 124102 (2023)], based around the conservation of directly computed spectral moments of the GW…

Using the Gaussian Ansatz for the monomer-monomer correlation functions we derive a set of the self-consistent equations for determination of the conformational state in the bead-and-spring copolymer model. The latter is based on the…

Fluid phase behavior of charge-stabilized colloidal suspensions is explored by applying a new variant of the Gibbs ensemble Monte Carlo simulation method to a coarse-grained one-component model with implicit microions and solvent. The…

We report a method for the evaluation of the one-loop self-energy, to all orders in the external binding field, using a Gaussian basis set expansion. This choice of basis is motivated by its widespread use in molecular calculations. For a…

The time dependence of deviations from the Gaussian state in a freely cooling homogeneous system of smooth inelastically colliding spheres is investigated by kinetic theory. We determine the full time dependence of the coefficients of an…

The mean area of a two-dimensional Gaussian ring of $N$ monomers is known to diverge when the ring is subject to a critical pressure differential, $p_c \sim N^{-1}$. In a recent publication [Eur. Phys. J. E 19, 461 (2006)] we have shown…

An energy-based discontinuous Galerkin method for the advective wave equation is proposed and analyzed. Energy-conserving or energy-dissipating methods follow from simple, mesh-independent choices of the inter-element fluxes, and both…

The phase separation of a simple binary mixture of incompatible linear polymers in solution is investigated using an extension of the sedimentation equilibrium method, whereby the osmotic pressure of the mixture is extracted from the…

Monte Carlo sampling of the canonical distribution presents a formidable challenge when the potential energy landscape is characterized by a large number of local minima separated by high barriers. The principal observation of this work is…

We combine the single site dynamical mean field theory (DMFT) with the non-local GW method. This is done fully self-consistently and we apply our formalism to a one-band Hubbard model. Eventually at self-consistency the full self-energy and…

Recently, there has been interest in determining the viscoelastic properties of polymeric liquids and other complex fluids by means of Diffusing Wave Spectroscopy (DWS). In this technique, light-scattering spectroscopy is applied to highly…

We present a Bayesian inference approach to estimating the cumulative mass profile and mean squared velocity profile of a globular cluster given the spatial and kinematic information of its stars. Mock globular clusters with a range of…