Related papers: Modeling glasses from first-principles using rando…

We extend our statistical mechanical theory of the glass transition from examples consisting of point particles to molecular liquids with internal degrees of freedom. As before, the fundamental assertion is that super-cooled liquids are…

We consider two systems of Ising spins with plaquette interactions. They are simple models of glasses which have dual representations as kinetically constrained systems. These models allow an explicit analysis using the mosaic, or entropic…

Whether the glass transition is caused by an underlying singularity or is a purely kinetic phenomenon is a significant outstanding question. Studying an atomistic glass former, we introduce a sampling method to access temperatures…

We propose a new scheme to parameterize effective potentials that can be used to simulate atomic systems such as oxide glasses. As input data for the optimization, we use the radial distribution functions of the liquid and the vibrational…

We provide a compact derivation of the static and dynamic equations for infinite-dimensional particle systems in the liquid and glass phases. The static derivation is based on the introduction of an "auxiliary" disorder and the use of the…

The optical and electronic properties of Mg-Ti hydrides are studied using first-principles density functional theory. Dielectric functions are calculated for MgxTi(1-x)H2 with compositions x = 0.5, 0.75, and 0.875. The structure is that of…

Jamming is a phenomenon shared by a wide variety of systems, such as granular materials, foams, and glasses in their high density regime. This has motivated the development of a theoretical framework capable of explaining many of their…

Using the inherent structure formalism originally proposed by Stillinger and Weber [Phys. Rev. A 25, 978 (1982)], we generalize the thermodynamics of an energy landscape that has an ideal glass transition and derive the consequences for its…

Molecular dynamics simulations at a constant electric potential are an essential tool to study electrochemical processes, providing microscopic information on the structural, thermodynamic, and dynamical properties. Despite the numerous…

In this paper, we present new models of germanium selenide chalcogenide glasses heavily doped with silver. The models were readily obtained with ab initio molecular dynamics and their structure agrees closely with diffraction measurements.…

We review the Random First Order Transition Theory of the glass transition, emphasizing the experimental tests of the theory. Many distinct phenomena are quantitatively predicted or explained by the theory, both above and below the glass…

We consider the critical properties of points of continuous glass transition as one can find in liquids in presence of constraints or in liquids in porous media. Through a one loop analysis we show that the critical Replica Field Theory…

The study of spin-glass dynamics, long considered the paradigmatic complex system, has reached important milestones. The availability of single crystals has allowed the experimental measurement of spin-glass coherence lengths of almost…

We introduce a hierarchical class of approximations of the random Ising spin glass in $d$ dimensions. The attention is focused on finite clusters of spins where the action of the rest of the system is properly taken into account. At the…

We revisit the concept of marginal stability in glasses, and determine its range of applicability in the context of avalanche-type response to slow external driving. We argue that there is an intimate connection between a pseudo-gap in the…

We propose an interacting lattice gas model of structural glass characterized by particle distinguishability and site-particle-dependent random nearest-neighboring particle interactions. This incorporates disorder quenched in the…

Spherical symmetry is ubiquitous in nature. It's therefore unfortunate that spherical system simulations are so hard, and require complete spheres with millions of interacting particles. Here we introduce an approach to model spherical…

We prove that the electron density function of a real physical system can be uniquely determined by its values on any finite subsystem. This establishes the existence of a rigorous density-functional theory for any open electronic system.…

Identifying heterogeneous structures in glasses --- such as localized soft spots --- and understanding structure-dynamics relations in these systems remain major scientific challenges. Here we derive an exact expression for the local…

We use a random pinning procedure to investigate stable glassy states associated with large deviations of the activity in a model glass-former. We pin particles both from active (equilibrium) configurations and from stable (inactive) glassy…