相关论文: Energy landscape analysis of the two-dimensional n…
The stationary points of the potential energy function V are studied for the \phi^4 model on a two-dimensional square lattice with nearest-neighbor interactions. On the basis of analytical and numerical results, we explore the relation of…
We investigate the energy landscape of two- and three-dimensional XY models with nearest-neighbor interactions by analytically constructing several classes of stationary points of the Hamiltonian. These classes are analyzed, in particular…
The application of numerical techniques to the study of energy landscapes of large systems relies on sufficient sampling of the stationary points. Since the number of stationary points is believed to grow exponentially with system size, we…
One of the most challenging and frequently arising problems in many areas of science is to find solutions of a system of multivariate nonlinear equations. There are several numerical methods that can find many (or all if the system is small…
The Hamiltonian dynamics of the classical $\phi^4$ model on a two-dimensional square lattice is investigated by means of numerical simulations. The macroscopic observables are computed as time averages. The results clearly reveal the…
The stationary points (SPs) of a potential energy landscape play a crucial role in understanding many of the physical or chemical properties of a given system. Unless they are found analytically, there is, however, no efficient method to…
We describe a numerical study of the potential energy landscape for the two-dimensional XY model (with no disorder), considering up to 100 spins and CPU and GPU implementations of local optimization, focusing on minima and saddles of index…
The on lattice $\phi^4$ model is a paradigmatic example of continuous real variables model undergoing a continuous symmetry braking phase transition (SBPT). In this paper we study the $\mathbb{Z}_2$-symmetric mean-field version without the…
We have performed a detailed exploration of the energy landscape for configurations of points on the sphere, interacting via the logarithmic potential, and corresponding to local minima of the total energy, up to $N = 160$. The growth of…
We study the 3-spin spherical model with mean-field interactions and Gaussian random couplings. For moderate system sizes of up to 20 spins, we obtain all stationary points of the energy landscape by means of the numerical polynomial…
The stationary points (SPs) of the potential energy landscapes (PELs) of multivariate random potentials (RPs) have found many applications in many areas of Physics, Chemistry and Mathematical Biology. However, there are few reliable methods…
In order to better understand the occurrence of phase transitions, we adopt an approach based on the study of energy landscapes: The relation between stationary points of the potential energy landscape of a classical many-particle system…
The techniques which allow the numerical evaluation of the statistical properties of the potential energy landscape for models of simple liquids are reviewed and critically discussed. Expressions for the liquid free energy and its…
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…
Solving large polynomial systems with coefficient parameters are ubiquitous and constitute an important class of problems. We demonstrate the computational power of two methods--a symbolic one called the Comprehensive Gr\"obner basis and a…
Classical $\phi^4$ theory in weak and strong thermal gradients is studied on the lattice in (1+1) dimensions. Classical $\phi^4$ theory in weak and strong thermal gradients is studied on the lattice in (1+1) dimensions. The steady state…
We report a detailed study of the stationary points (zero-force points) of the potential energy surface (PES) of a model structural glassformer. We compare stationary points found with two different algorithms (eigenvector following and…
Numerical results for ground state and excited state properties (energies, double occupancies, and Matsubara-axis self energies) of the single-orbital Hubbard model on a two-dimensional square lattice are presented, in order to provide an…
By means of molecular dynamics simulations, we study the stationary points of the potential energy in a Lennard-Jones liquid, giving a purely geometric characterization of the energy landscape of the system. We find a linear relation…
Adsorbed gases within, or outside of, carbon nanotubes may be analyzed with an approximate model of adsorption on lattice sites situated on a cylindrical surface. Using this model, the ground state energies of alternative lattice structures…