相关论文: Potential Energy Landscape in Lennard-Jones binary…

We investigate a binary Lennard-Jones mixture with molecular dynamics simulations. We consider first a system cooled linearly in time with the cooling rate gamma. By varying gamma over almost four decades we study the influence of the…

We investigate weakly coupled spin-1/2 ladders in a magnetic field. The work is motivated by recent experiments on the compound (C5H12N)2CuBr4 (BPCB). We use a combination of numerical and analytical methods, in particular the density…

We present the results of a large scale molecular dynamics computer simulation of a binary, supercooled Lennard-Jones fluid. At low temperatures and intermediate times the time dependence of the intermediate scattering function is well…

A simple model of a circularly closed dsDNA in a poor solvent is considered as an example of a semi-flexible polymer with self-attraction. To find the ground states, the conformational energy is computed as a sum of the bending and…

The energy landscapes of proteins have evolved to be different from most random heteropolymers. Many studies have concluded that evolutionary selection for rapid and reliable folding to a given structure that is stable at biological…

We study the dynamics of hard-core bosons on ladders, in the presence of strong kinetic constrains akin to those of the Bariev model. We use a combination of analytical methods and numerical simulations to establish the phase diagram of the…

The goal of this paper is to explore the potential multistability of the climate of a planet around the habitable zone. A thorough investigation of the thermodynamics of the climate system is performed for very diverse conditions of energy…

The complex physics of glass forming systems is controlled by the structure of the low energy portions of their potential energy landscapes. Here, we report that a modified metadynamics algorithm efficiently explores and samples low energy…

A variety of methods are developed for characterising the free energy landscapes of continuum, Landau-type free energy models. Using morphologies of lipid vesicles and a multistable liquid crystal device as examples, I show that the methods…

We analyze two different scenarios for the late Universe dynamics, resulting into Hubble parameters deviating from the $\Lambda$CDM, mainly for the presence of an additional free parameter, which is the dark energy parameter. The first…

We systematically study the nuclear level densities of superheavy nuclei, including odd systems, using the single-particle energies obtained with the Woods-Saxon potential diagonalization. Minimization over many deformation parameters for…

We study low-energy properties of the random displacement model, a random Schr\"odinger operator describing an electron in a randomly deformed lattice. All periodic displacement configurations which minimize the bottom of the spectrum are…

We use molecular dynamics simulations in 2d to study multi-component fluid in the limiting case where {\it all the particles are different} (APD). The particles are assumed to interact via Lennard-Jones (LJ) potentials, with identical size…

We present a numerical study of the statistical properties of the potential energy landscape of a simple model for strong network-forming liquids. The model is a system of spherical particles interacting through a square well potential,…

The fundamental mechanism of hysteresis in the quasistatic limit of multi-stable systems is associated with transitions of the system from one local minimum of the potential energy to another. In this scenario, as system parameters are…

Energy landscapes are high-dimensional surfaces representing the dependence of system energy on variable configurations, which determine crucially the system's emergent behavior but are difficult to be analyzed due to their high-dimensional…

This work shows that dynamical features typical of full random matrices can be observed also in the simple finite one-dimensional (1D) noninteracting Anderson model with nearest neighbor couplings. In the thermodynamic limit, all…

Analyzing three approximate methods to locate liquid-solid coexistence in simple systems, an observation is made that all of them predict the same functional dependence of the temperature on density at freezing and melting of the…

The three-body Lennard-Jones system on the plane has a transition state, which is the straight conformation located at a saddle point of the potential energy landscape. We show that the transition state can be dynamically stabilized by…

We apply two independent data analysis methodologies to locate stable climate states in an intermediate complexity climate model and analyze their interplay. First, drawing from the theory of quasipotentials, and viewing the state space as…