Related papers: Potential Energy Landscape in Lennard-Jones binary…
We investigate the multi-valley energy landscape of a 3-D on-lattice network model for covalent glasses, numerically determining the shape of the valleys, the local density of states, the density of minima and the local connectivity. We…
This paper presents simulations of the physical aging of a binary Kob-Andersen-type Lennard-Jones liquid following large temperature up-jumps from equilibrated states of high relaxation time. The purpose is to investigate how well the…
We have investigated thermodynamic and dynamic properties as well as the dielectric constant of water-metha\-nol model mixtures in the entire range of composition by using constant pressure molecular dynamics simulations at ambient…
We present some new theoretical and computational results for the stationary points of bulk systems. First we demonstrate how the potential energy surface can be partitioned into catchment basins associated with every stationary point using…
The 38-atom Lennard-Jones cluster has a paradigmatic double-funnel energy landscape. One funnel ends in the global minimum, a face-centred-cubic (fcc) truncated octahedron. At the bottom of the other funnel is the second lowest energy…
We investigate weakly coupled spin-1/2 ladders in a magnetic field. The work is motivated by recent experiments on the compound $\mathrm{(C_5H_{12}N)_2CuBr_4}$ (BPCB). We use a combination of numerical and analytical methods, in particular…
We investigate the Emery model on several ladder-like lattices including two legs of copper d-orbitals and various numbers of oxygen p-orbitals. Pair binding energy, pair spatial structure, density distribution, and pairing correlation…
How mixed can one component of a bi-partite system be initially and still become entangled through interaction with a thermalized partner? We address this question here. In particular, we consider the question of how mixed a two-level…
The dynamics of complex systems often involve thermally activated barrier crossing events that allow these systems to move from one basin of attraction on the high dimensional energy surface to another. Such events are ubiquitous, but…
Vegetation in semi-arid environments self-organizes into striking spatial patterns -- bands, spots, labyrinths, and gaps -- with characteristic wavelengths on the order of tens to hundreds of meters. Existing reaction-diffusion models…
The phenomenology of glass-forming liquids is often described in terms of their underlying, high-dimensional potential energy surface. In particular, the statistics of stationary points sampled as a function of temperature provides useful…
Developmental dynamics of multicellular organism is a process that takes place in a multi-stable system in which each attractor state represents a cell type and attractor transitions correspond to cell differentiation paths. This new…
Molecular dynamics results for the dynamic Prigogine-Defay ratio are presented for two glass-forming liquids, thus evaluating the experimentally relevant quantity for testing whether metastable-equilibrium liquid dynamics to a good…
Wetting and drying of a rigid substrate by a Lennard-Jones fluid in molecular dynamics simulations is reported. The size of the substrate particles, being smaller than the fluid particles in former simulations, is now taken to be equal to,…
In this paper, we focus on finite Bravais lattice energies per point in two dimensions. We compute the first and second derivatives of these energies. We prove that the Hessian at the square and the triangular lattice are diagonal and we…
The dynamics of colloidal particles in potential energy landscapes have mainly been investigated theoretically. In contrast, here we discuss the experimental realization of potential energy landscapes with the help of light fields and the…
Ternary or more complex hydrogen-rich hydrides are the main hope of reaching room-temperature superconductivity at high pressures. Their chemical space is vast and its exploration is challenging. Here we report the investigation of the…
Protein folding is analyzed using a replica variational formalism to investigate some free energy landscape characteristics relevant for dynamics. A random contact interaction model that satisfies the minimum frustration principle is used…
We consider diagonal disordered one-dimensional Anderson models with an underlying periodicity. We assume the simplest periodicity, i.e., we have essentially two lattices, one that is composed of the random potentials and the other of…
Recent numerical developments in the study of glassy systems have shown that it is possible to give a purely geometric interpretation of the dynamic glass transition by considering the properties of unstable saddle points of the energy.…