相关论文: A New Method to Compute the Configurational Entrop…
The spherical version of the Hopfield model for pattern recognition is considered in the static limit. Structures inside the patterns are modeled by Gaussian random variables that reward correlation between pairs of spins in a given…
We develop a model based on the fractional exclusion statistics (FES) applicable to non-homogeneous interacting particle systems. Here the species represent elementary volumes in an (s+1)-dimensional space, formed by the direct product…
The complex dynamics of an increasing number of systems is attributed to the emergence of a rugged energy landscape with an exponential number of metastable states. To develop this picture into a predictive dynamical theory I discuss how to…
We introduce an experimental method of assessing the vibrational and configurational components of the excess entropy of a liquid over crystal, based on a joined investigation of dynamic and thermodynamic properties as a function of…
In this talk we discuss the possibility of constructing a fluctuation theory for structural glasses in the non-equilibrium aging state. After reviewing well known results in a toy model we discuss some of the key assumptions which support…
A general method is presented for modeling high entropy alloys as ensembles of randomly sampled, ordered configurations on a given lattice. Statistical mechanics is applied post hoc to derive the ensemble properties as a function of…
Domain-wall free-energy $\delta F$, entropy $\delta S$, and the correlation function, $C_{\rm temp}$, of $\delta F$ are measured independently in the four-dimensional $\pm J$ Edwards-Anderson (EA) Ising spin glass. The stiffness exponent…
While macroscopic properties of spin glasses have been thoroughly investigated, their manifestation in the corresponding microscopic configurations is much less understood. Cases where both descriptions have been provided, such as…
Thermodynamic phase transitions, a central concept in physics and chemistry, are typically controlled by an interplay of enthalpic and entropic contributions. In most cases, the estimation of the enthalpy in simulations is straightforward…
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…
The Thouless, Anderson, Palmer (TAP) approach to thermodynamics of mean field spin-glasses is generalised to dynamics. A method to compute the dynamical TAP equations is developed and applied to the p-spin spherical model. In this context…
We consider critical models in one dimension. We study the ground state in thermodynamic limit [infinite lattice]. Following Bennett, Bernstein, Popescu, and Schumacher, we use the entropy of a sub-system as a measure of entanglement. We…
Properties of the free energy landscape in phase space of a dense hard sphere system characterized by a discretized free energy functional of the Ramakrishnan-Yussouff form are investigated numerically. A considerable number of glassy local…
The Adam-Gibbs view of the glass transition relates the relaxation time to the configurational entropy, which goes continuously to zero at the so-called Kauzmann temperature. We examine this scenario in the context of a dimer model with an…
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…
We use computer simulations to probe the thermodynamic and dynamic properties of a glass-former that undergoes an ideal glass-transition because of the presence of randomly pinned particles. We find that even deep in the equilibrium glass…
We analyze the free energy and the overlaps in the 2-spin spherical Sherrington Kirkpatrick spin glass model with an external field for the purpose of understanding the transition between this model and the one without an external field. We…
Configurational entropy is an important factor in the free energy change of many macromolecular recognition and binding processes, and has been intensively studied. Despite great progresses that have been made, the global sampling remains…
In this paper, a simple case of Bayesian mechanics under the free energy principle is formulated in axiomatic terms. We argue that any dynamical system with constraints on its dynamics necessarily looks as though it is performing inference…
We utilize the lattice cluster theory (LCT) of polymer fluids to show that the configurational entropy, enthalpy, and internal energy are all closely interrelated, as suggested by recent measurements by Caruthers and Medvedev, so that the…