Related papers: Exploring canyons in glassy energy landscapes usin…
The richness of the mean-field solution of simple glasses leaves many of its features challenging to interpret. A minimal model that illuminates glass physics the same way the random energy model clarifies spin glass behavior would…
The low-temperature quasi-universal behavior of amorphous solids has been attributed to the existence of spatially-localized tunneling defects found in the low-energy regions of the potential energy landscape. Computational models of…
A method is presented, which allows to sample directly low-temperature configurations of glassy systems, like spin glasses. The basic idea is to generate ground states and low lying excited configurations using a heuristic algorithm. Then,…
When classical systems fail to explore their entire configurational space, intriguing macroscopic phenomena like aging and glass formation may emerge. Also closed quanto-mechanical systems may stop wandering freely around the whole Hilbert…
Supercooled liquids are metastable states realized by suppressing crystallization below the melting temperature. While it is well established that their dynamics slow down dramatically and become spatially heterogeneous upon cooling, the…
Aspects of the dynamical glass transition are considered within a mean field spin glass model. At the dynamical transition the the system condenses in a state of lower entropy. The difference, the information entropy or complexity, is…
Individual cationic site--energies are explicitly determined from molecular dynamics simulations of alkali silicate glasses, and the properties and relevance of this local energetics to ion transport are studied. The absence of relaxations…
We show that the dynamics between inherent structures in glass forming systems can be understood in purely dynamical terms, without any reference to ``topographic'' features of the potential energy landscape. This ``non-topographic''…
connected spin-glass models with a discontinuous transition. In the thermodynamic limit the equilibrium properties in the high temperature phase are described by the schematic Mode Coupling Theory of super-cooled liquids. We show that {\it…
Understanding glass formation by quenching remains a challenge in soft condensed matter physics. Recent numerical studies on steepest descent dynamics, which is one of the simplest models of quenching, revealed that quenched liquids undergo…
Exploring molecular energy landscapes and identifying ground-state conformations are central challenges in computational chemistry. However, generating diverse low-energy conformers from molecular graphs remains expensive with traditional…
In order to efficiently explore the chemical space of all possible small molecules, a common approach is to compress the dimension of the system to facilitate downstream machine learning tasks. Towards this end, we present a data driven…
Energetic correlations due to polymeric constraints and the locality of interactions, in conjunction with the apriori specification of the existence of a particularly low energy state, provides a method of introducing the aspect of minimal…
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…
Many problems in physics, material sciences, chemistry and biology can be abstractly formulated as a system that navigates over a complex energy landscape of high or infinite dimensions. Well-known examples include phase transitions of…
In amorphous materials, groups of particles can rearrange locally into a new stable configuration. Such elementary excitations are key as they determine the response to external stresses, as well as to thermal and quantum fluctuations. Yet,…
In this work we revisit the description of dynamics based on the concepts of metabasins and activation in mildly supercooled liquids via the analysis of the dynamics of a paradigmatic glass former between its onset temperature $T_{o}$ and…
We conduct a numerical study of the dynamic behavior of a dense hard sphere fluid by deriving and integrating a set of Langevin equations. The statics of the system is described by a free energy functional of the Ramakrishnan-Yussouff form.…
The high dimensionality and complex dynamics of turbulent flows in urban street canyons present significant challenges for wind and environmental engineering, particularly in addressing air quality, pollutant dispersion, and extreme wind…
We calculate the statistical properties of the energy landscape of a minimal model for strong network-forming liquids. Dynamics and thermodynamic properties of this model can be computed with arbitrary precision even at low temperatures. A…