Related papers: A stroll in the energy landscape
We study the replica free energy surface for a spin glass model near the glassy temperature. In this model the simplicity of the equilibrium solution hides non trivial metastable saddle points. By means of the stability analysis performed…
Spatially resolved electron energy-loss spectroscopy (EELS) in a scanning transmission electron microscope (STEM) has been used to investigate as fluidic phase in nanoubbles embedded in a metallic Pd90Pt10 matrix. Using the 1s->2p…
Neural network models have been used to construct energy landscapes for modeling biological phenomena, in which the minima of the landscape correspond to memory patterns stored by the network. Here, we show that dynamic properties of those…
We created a computational workflow to analyze the potential energy surface (PES) of materials using machine-learned interatomic potentials in conjunction with the minima hopping algorithm. We demonstrate this method by producing a…
The understanding, and even the description of protein folding is impeded by the complexity of the process. Much of this complexity can be described and understood by taking a statistical approach to the energetics of protein conformation,…
We study energy landscape and dynamics of the three-dimensional Heisenberg Spin Glass model in the paramagnetic phase, i.e. for temperature $T$ larger than the critical temperature $T_\mathrm{c}$. The landscape is non-trivially related to…
We use the saddle-approach, recently introduced in the numerical investigation of simple model liquids, in the analysis of a mean-field solvable system. The investigated system is the k-trigonometric model, a k-body interaction mean field…
The equilibrium free energy landscape of off-lattice model heteropolymers as a function of an internal coordinate, namely the end-to-end distance, is reconstructed from out-of-equilibrium steered molecular dynamics data. This task is…
Free-energy landscapes for short peptides -- specifically for variants of the pH Low Insertion Peptide (pHLIP) -- in the heterogeneous environment of a lipid bilayer or cell membrane are constructed, taking into account a set of dominant…
An analytical model of non-Gaussian energy landscape of low-temperature fluids is developed based on the thermodynamics of the fluid of dipolar hard spheres. The entire excitation profile of the liquid, from the high temperatures to the…
We show that the dynamics of simple disordered models, like the directed Trap Model and the Random Energy Model, takes place at a coexistence point between active and inactive dynamical phases. We relate the presence of a dynamic phase…
Polydispersity is found to have a significant effect on the potential energy landscape; the the average inherent structure energy with temperature decreases with polydispersity. Increasing polydispersity at fixed volume fraction decreases…
The complexity and unpredictability of postbuckling responses in even simple thin shells have raised great challenges to emerging technologies exploiting buckling transitions. Here we comprehensively survey the buckling landscapes to show…
The Voronoi model is a popular tool for studying confluent living tissues. It exhibits an anomalous glassy behavior even at very low temperatures or weak active self-propulsion, and at zero temperature the model exhibits a disordered solid…
This paper focuses on characterizing the energy profile along pathways connecting different regions of configuration space in the context of a prototypical glass model, the pure spherical $p$-spin model with $p=3$. The study investigates…
Recent work suggests that Heisenberg spin glasses may belong to the same universality class than structural glasses. Indeed, finding a lattice equivalent for supercooled liquids would probably allow easier numerical and analytical studies,…
Depth, number, and shape of the basins of the potential energy landscape are the key ingredients of the inherent structure thermodynamic formalism introduced by Stillinger and Weber [F. H. Stillinger and T. A. Weber, Phys. Rev. A 25, 978…
We report our studies of the potential energy surface (PES) of selected binary Lennard-Jones clusters. The effect of adding selected impurity atoms to a homogeneous cluster is explored. Inherent structures and transition states are found by…
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 potential energy landscape (PEL) of supercooled binary Lennard-Jones (BLJ) mixtures exhibits local minima, or inherent structures (IS), which are organized into meta-basins (MB). We study the particle rearrangements related to…