相关论文: Analytic Partition Function Zeros of the Wako-Sait…
I study the partition function zeros of the Wako-Saito-Munoz-Eaton (WSME) beta hairpin model in the complex temperature plane. For various values of the entropy cost of disordering a bond, the zeros show clear locus corresponding to the…
I compute exact partition function zeros of the Wako-Saito-Mu\~noz-Eaton model for various secondary structural elements and for two proteins, 1BBL and 1I6C, using both analytic and numerical methods. Two-state and barrierless downhill…
A transfer-matrix formalism is introduced to evaluate exactly the partition function of the Munoz-Eaton model, relating the folding kinetics of proteins of known structure to their thermodynamics and topology. This technique can be used for…
We present a general, rigorous theory of partition function zeros for lattice spin models depending on one complex parameter. First, we formulate a set of natural assumptions which are verified for a large class of spin models in a…
A new method to extract the density of partition function zeroes (a continuous function) from their distribution for finite lattices (a discrete data set) is presented. This allows direct determination of the order and strength of phase…
We discuss the distribution of partition function zeros for the grand-canonical ensemble of the zeta-urn model, where tuning a single parameter can give a first or any higher order condensation transition. We compute the locus of zeros for…
The zeros of the size-$n$ partition functions for a statistical mechanical model can be used to help understand the critical behaviour of the model as $n\to\infty$. Here we use weighted Dyck paths as a simple model of two-dimensional…
This paper is a continuation of our previous analysis [BBCKK] of partition functions zeros in models with first-order phase transitions and periodic boundary conditions. Here it is shown that the assumptions under which the results of…
The $Q$-state Potts model on the simple-cubic lattice is studied using the zeros of the exact partition function on a finite lattice. The critical behavior of the model in the ferromagnetic and antiferromagnetic phases is discussed based on…
We extend the circle theorem on the zeros of the partition function to a continuum system. We also calculate the exact zeros of the partition function for a finite system where the probability distribution for the order parameter is given…
We discuss a numerical analysis employing the density of partition function zeroes which permits effective distinction between phase transitions of first and second order, elucidates crossover between such phase transitions and gives a new…
We study the collapse transition of the lattice homopolymer on a square lattice by calculating the exact partition function zeros. The exact partition function is obtained by enumerating the number of possible conformations for each energy…
In this paper we study finite-size effects in the Blume-Capel model through the analysis of the zeros of the partition function. We consider a complete graph and make use of the behaviour of the partition function zeros to elucidate the…
The determination of the folding mechanisms of proteins is critical to understand the topological change that can propagate Alzheimer and Creutzfeld-Jakobs diseases, among others. The computational community has paid considerable attention…
We consider a simplified model of protein folding, with binary degrees of freedom, whose equilibrium thermodynamics is exactly solvable. Based on this exact solution, the kinetics is studied in the framework of a local equilibrium approach,…
We characterize the breaking of analyticity with respect to the replica number which occurs in random energy models via the complex zeros of the moment of the partition function. We perturbatively evaluate the zeros in the vicinity of the…
In this paper, we provide a proof of the explicit formula for the partition function of the Ising model on the Sierpinski gasket. Additionally, we demonstrate the dynamic behavior of the zero distribution of the partition function when a…
This paper explores the use of a cumulant method to determine the zeros of partition functions for continuous phase transitions. Unlike a first-order transition, with a uniform density of zeros near the transition point, a continuous…
Partition Density Functional Theory (P-DFT) is a density embedding method that partitions a molecule into fragments by minimizing the sum of fragment energies subject to a local density constraint and a global electron-number constraint. To…
We consider the Ising model on an $M\times N$ rectangular lattice with an asymmetric self-dual boundary condition, and derive a closed-form expression for its partition function. We show that zeroes of the partition function are given by…