Related papers: Pair Correlation Function Characteristics of Nearl…
We study the interaction-induced connectivity in the Fock space of two particles in a disordered one-dimensional potential. Recent computational studies showed that the largest localization length $\xi_2$ of two interacting particles in a…
We consider the procedure for calculating the pair correlation function in the context of the Cluster Variation Methods. As specific cases, we study the pair correlation function in the paramagnetic phase of the Ising model with nearest…
We numerically produce fully amorphous assemblies of frictionless spheres in three dimensions and study the jamming transition these packings undergo at large volume fractions. We specify four protocols yielding a critical value for the…
We consider long strips of finite width $L \leq 13$ sites of ferromagnetic Ising spins with random couplings distributed according to the binary distribution: $P(J_{ij})= {1 \over 2} ( \delta (J_{ij} -J_0) + \delta (J_{ij} -rJ_0) ) ,\ 0 < r…
Previous studies have shown that the interiors of proteins are densely packed, reaching packing fractions that are as large as those found for static packings of individual amino-acid-shaped particles. How can the interiors of proteins take…
In this thesis I present most of the results obtained during my PhD, where I worked on different subjects regarding jamming in systems of frictionless spheres. In particular, I focused on microscopic properties of jammed packings, such as…
The jamming transition of particles with finite-range interactions is characterized by a variety of critical phenomena, including power law distributions of marginal contacts. We numerically study a recently proposed simple model of…
The analytical canonical NLT partition function of a quasi-one dimensional (q1D) system of hard disks [J. Chem Phys. v.153, 144111 (2020)] provides a direct analytical description of the thermodynamics and ordering in this system (a pore)…
The probability of finding a spherical "hole" of a given radius $r$ contains crucial structural information about many-body systems. Such hole statistics, including the void conditional nearest-neighbor probability functions $G_V(r)$, have…
The recently introduced nested sampling algorithm allows the direct and efficient calculation of the partition function of atomistic systems. We demonstrate its applicability to condensed phase systems with periodic boundary conditions by…
We perform molecular dynamics simulations to compress binary hard spheres into jammed packings as a function of the compression rate $R$, size ratio $\alpha$, and number fraction $x_S$ of small particles to determine the connection between…
We study various temporal correlation functions of a tagged particle in one-dimensional systems of interacting point particles evolving with Hamiltonian dynamics. Initial conditions of the particles are chosen from the canonical thermal…
The jamming transition is ubiquitous. It is present in granular matter, colloids, glasses, and many other systems. Yet, it defines a critical point whose properties still need to be fully understood. A major breakthrough came about when the…
Using computed x-ray tomography we determine the three dimensional (3d) structure of binary hard sphere mixtures as a function of composition and size ratio of the particles, q. Using a recently introduced four-point correlation function we…
We present a numerical study of the flow of an assembly of frictionless soft discs at zero temperature, in the vicinity of and slightly above the jamming density. We find that some of the flow properties, such as the fluctuations in the…
Strong pairing correlations are responsible for superconductivity and off-diagonal long range order in the two-particle density matrix. The antisymmetrized geminal power wave function was championed many years ago as the simplest model that…
We characterize the structure of maximally random jammed (MRJ) sphere packings by computing the Minkowski functionals (volume, surface area, and integrated mean curvature) of their associated Voronoi cells. The probability distribution…
Simulated granular packings with different particle friction coefficient mu are examined. The distribution of the particle-particle and particle-wall normal and tangential contact forces P(f) are computed and compared with existing…
We consider the dynamics of a periodic chain of N coupled overdamped particles under the influence of noise, in the limit of large N. Each particle is subjected to a bistable local potential, to a linear coupling with its nearest…
Pair atomic density fitting (PADF) is a promising strategy to reduce the scaling with system size of quantum chemical methods for the calculation of the correlation energy like the direct random phase approximation (RPA) or second-order…