Related papers: 2-D Cluster Variation Method Free Energy: Fundamen…
The new mathematical framework based on the free energy of pure classical fluids presented in [R. D. Rohrmann, Physica A 347, 221 (2005)] is extended to multi-component systems to determine thermodynamic and structural properties of…
The main contribution of this paper is the formulation of a diffuse approximation method(DAM), for two-dimensional channel flows. The proposed method is based on the vorticity-streamfunction formulation. The DAM which estimates derivates of…
In this paper we introduce simplified, combinatorially exact formulas that arise in the vortex interaction model found in (Nagem, et al., SIAM J. Appl. Dyn. Syst. 2009). These combinatorial formulas allow for the efficient implementation…
The present paper is the second part of a twofold work, whose first part is reported in [3], concerning a newly developed Virtual Element Method (VEM) for 2D continuum problems. The first part of the work proposed a study for linear elastic…
We extend the coupled-cluster method to correlated quantum dynamics of both closed and open systems at finite temperatures using the thermo-field formalism. The approach expresses the time-dependent density matrix in an exponential ansatz…
Cryo-electron microscopy (cryo-EM) is a powerful imaging technique for reconstructing three-dimensional molecular structures from noisy tomographic projection images of randomly oriented particles. We introduce a new data fusion framework,…
We present a new technique for visualizing high-dimensional data called cluster MDS (cl-MDS), which addresses a common difficulty of dimensionality reduction methods: preserving both local and global structures of the original sample in a…
Sampling complex free energy surfaces is one of the main challenges of modern atomistic simulation methods. The presence of kinetic bottlenecks in such surfaces often renders a direct approach useless. A popular strategy is to identify a…
In the present work we explore the application of a few root-finding methods to a series of prototypical examples. The methods we consider include: (a) the so-called continuous-time Nesterov (CTN) flow method; (b) a variant thereof referred…
The Markov entropy decomposition (MED) is a recently-proposed, cluster-based simulation method for finite temperature quantum systems with arbitrary geometry. In this paper, we detail numerical algorithms for performing the required steps…
We present a new method, in the following called MMM2D, to accurately calculate the electrostatic energy and forces on charges being distributed in a two dimensional periodic array of finite thickness. It is not based on an Ewald summation…
We introduce coupled-cluster (CC) theory for the numerical study of the normal state of two-component, dilute Fermi gases with attractive, short-range interactions at zero temperature. We focus on CC theory with double excitations (CCD) and…
In this thesis the variational optimisation of the density matrix is discussed as a method in many-body quantum mechanics. This is a relatively unknown technique in which one tries to obtain the two-particle reduced density matrix directly…
We establish the existence of free energy limits for several combinatorial models on Erd\"{o}s-R\'{e}nyi graph $\mathbb {G}(N,\lfloor cN\rfloor)$ and random $r$-regular graph $\mathbb {G}(N,r)$. For a variety of models, including…
Optimization methods have been broadly applied to two classes of objects viz. (i) modeling and description of data and (ii) the determination of the stationary points of functions. Here, a theoretical basis is developed that optimizes an…
The paper is concerned with interacting particle systems on the simple cubic lattice obeying the nearest neighbour exclusion (NNE). This constraint forbids any two neighbouring sites of the lattice to be simultaneously occupied, thus…
We use the covariant and gauge-invariant 1+1+2 formalism of Clarkson and Barrett \cite{Clarkson2003} to analyze electromagnetic (EM) perturbations on non-vacuum {\it locally rotationally symmetric} (LRS) class II space-times. Ultimately, we…
Parametric two-electron reduced-density-matrix (p-2RDM) methods have enjoyed much success in recent years; the methods have been shown to exhibit accuracies greater than coupled cluster with single and double substitutions (CCSD) for both…
The WDVV equations of associativity in 2-d topological field theory are completely integrable third order Monge-Amp\`ere equations which admit bi-Hamiltonian structure. The time variable plays a distinguished role in the discussion of…
Patterned two-dimensional (2D) magnetic nanostructures constitute geometry-engineered spin systems in which exchange, anisotropy, dipolar coupling, and finite-size effects operate on comparable energy scales. Spatial modulation of…