Related papers: Sequential cavity method for computing free energy…
We present a novel method for approximately equilibrating a matrix $A \in {\bf R}^{m \times n}$ using only multiplication by $A$ and $A^T$. Our method is based on convex optimization and projected stochastic gradient descent, using an…
A microscopic model of a surface polymer network - membrane system is introduced, with contact polymer surface interactions that can be either repulsive or attractive and sliplinks of functionality four randomly distributed over the…
A wide class of problems in combinatorics, computer science and physics can be described along the following lines. There are a large number of variables ranging over a finite domain that interact through constraints that each bind a few…
Spatial two-component mixture models offer a robust framework for analyzing spatially correlated data with zero inflation. To circumvent potential biases introduced by assuming a specific distribution for the response variables, we employ a…
The pseudopotential lattice Boltzmann method (LBM) is a prominent approach for simulating multiphase flows, valued for its physical intuitiveness and computational tractability. However, existing immiscible pseudopotential methods for…
To address the time-scale limitations in molecular dynamics (MD) simulations, numerous enhanced sampling methods have been developed to expedite the exploration of complex free energy landscapes. A commonly employed approach accelerates the…
We consider the dimer model on the rectangular $2M \times 2N$ lattice with free boundary conditions. We derive exact expressions for the coefficients in the asymptotic expansion of the free energy in terms of the elliptic theta functions…
A variational model of pressure-dependent plasticity employing a time-incremental setting is introduced. A novel formulation of the dissipation potential allows one to construct the condensed energy in a variationally consistent manner. For…
This paper presents an enhancement to the free surface lattice Boltzmann method (FSLBM) for the simulation of bubbly flows including rupture and breakup of bubbles. The FSLBM uses a volume of fluid approach to reduce the problem of a…
Free energy calculations of two crystalline phases of the molecular compound S8 were performed via molecular dynamics simulations of these crystals. The elemental sulphur S8 molecule model used in our MD calculations consists of a…
We present an analytical description of the probability distribution function (PDF) of the smoothed three-dimensional matter density field for modified gravity and dark energy. Our approach, based on the principles of Large Deviations…
In this paper we consider a fully discrete numerical method for the unsteady Navier-Stokes equations on a smooth closed stationary surface in $\mathbb{R}^3$. We use the surface finite element method (SFEM) with a generalized Taylor-Hood…
We use the linear sigma model coupled to quarks, together with a plausible location of the critical end point (CEP), to study the chiral symmetry transition in the QCD phase diagram. We compute the effective potential at finite temperature…
We propose and study a model for the equilibrium statistical mechanics of a pressurised semiflexible polymer ring. The Hamiltonian has a term which couples to the algebraic area of the ring and a term which accounts for bending…
In this manuscript, we consider a finite multivariate nonparametric mixture model where the dependence between the marginal densities is modeled using the copula device. Pseudo EM stochastic algorithms were recently proposed to estimate all…
Vibrational properties of solids are key to determining stability, response and functionality. However, they are challenging to computationally predict at Ab-Initio accuracy, even for elemental systems. Ab-Initio methods for modeling atomic…
We present a free energy lattice Boltzmann model capable of simulating fluid systems with an arbitrary number of immiscible components in principle. Our method is strictly reduction consistent, ensuring that absent fluid components do not…
Polymer-surface interactions are crucial to many biological processes and industrial applications. Here we propose a machine-learning method to connect a model polymer's sequence with its adhesion to decorated surfaces. We simulate the…
The topological susceptibility is an important quantity in QCD, which can be computed using lattice methods. However, at a fine lattice spacing, or when using high quality chirally symmetric quarks, algorithms which proceed in small update…
We discuss spontaneously broken quantum field theories with a continuous symmetry group via the constraint effective potential. Employing lattice simulations with constrained values of the order parameter, we demonstrate explicitly that the…