Related papers: Quantitative approximation schemes for glasses
The use of approximation is fundamental in computational science. Almost all computational methods adopt approximations in some form in order to obtain a favourable cost/accuracy trade-off and there are usually many approximations that…
A quantum system at equilibrium is represented by a corresponding classical system, chosen to reproduce thermodynamic and structural properties. The motivation is to allow application of classical strong coupling theories and molecular…
Faced with the Kauzmann paradox, glasses have always been a puzzle for condensed matter theorists. We show that in a new picture of condensed matter, which takes into account the coherent interaction mechanisms of QED, glasses are nothing…
With the development of low order scaling methods for performing Kohn-Sham Density Functional Theory, it is now possible to perform fully quantum mechanical calculations of systems containing tens of thousands of atoms. However, with an…
The specific heat of the Coulomb glass is studied by numerical simulations. Both the lattice model with various strengths of disorder, and the random-position model are considered for the one- to three-dimensional cases. In order to extend…
In this paper we expand our previous investigation of a quantum particle subject to the action of a random potential plus a fixed harmonic potential at a finite temperature T. In the classical limit the system reduces to a well-known…
Due to its non-crystalline nature, the glassy state has remained one the most exciting scientific challenges. To study such materials, Molecular Dynamics (MD) simulations have been extensively used because they provide a direct view into…
In this article we review results of computer simulation of glasses carried out using first principles approaches, notably density functional theory. We start with a brief introduction to this method and compare the pros and cons of this…
We present an efficient numerical scheme based on Monte Carlo integration to approximate statistical solutions of the incompressible Euler equations. The scheme is based on finite volume methods, which provide a more flexible framework than…
In previous work the parameter of glassiness was introduced to distinguish between a liquid and a glass, using a formal analogy with the quantum Bose system. The glassiness is defined in such a way that it is unity in a frozen system and…
We give a deterministic method of quasi-polynomial complexity to approximate the volume of the intersection of the unit hypercube with two specific sets. The method can actually be applied (without losing the quasi-polynomial complexity) to…
Engineering new glass compositions have experienced a sturdy tendency to move forward from (educated) trial-and-error to data- and simulation-driven strategies. In this work, we developed a computer program that combines data-driven…
We introduce the ideal Gaussian glass-forming system as a model to describe the thermodynamics and dynamics of supercooled liquids on a local scale in terms of the properties of the potential energy landscape (PEL). The first ingredient is…
The extreme slowing down associated with glass formation in experiments and in simulations results in serious difficulties to prepare deeply quenched, well annealed, glassy material. Recently, methods to achieve such deep quenching were…
Due to their flexibility, Gaussian processes (GPs) have been widely used in nonparametric function estimation. A prior information about the underlying function is often available. For instance, the physical system (computer model output)…
Distance geometry problem belongs to a class of hard problems in classical computation that can be understood in terms of a set of inputs processed according to a given transformation, and for which the number of possible outcomes grows…
We propose an approach to compute inner and outer-approximations of the sets of values satisfying constraints expressed as arbitrarily quantified formulas. Such formulas arise for instance when specifying important problems in control such…
Spin glasses are quintessential examples of complex matter. Although much about their order remains uncertain, abstract models of them inform, e.g., the classification of combinatorial optimization problems, the magnetic ordering in metals…
Glass materials, as quintessential non-equilibrium systems, exhibit properties such as energy dissipation that are highly sensitive to their preparation histories. A key challenge has been identifying a unified order parameter to…
We present a numerical scheme for immiscible two-phase flows with one compressible and one incompressible phase. Special emphasis lies in the discussion of the coupling strategy for compressible and incompressible Euler equations to…