Related papers: Guessing the upper bound free-energy difference be…
Models of grain boundary energy are essential for predicting the behavior of polycrystalline materials. Typical models represent the minimum boundary energy as a function of macroscopic boundary parameters. An energy model may allow for…
Temperature of a finite-sized system fluctuates due to the thermal fluctuations. However, a systematic mathematical framework for measuring or estimating the temperature is still underdeveloped. Here, we incorporate the estimation theory in…
In this paper we discuss how the information contained in atomistic simulations of homogeneous nucleation should be used when fitting the parameters in macroscopic nucleation models. We show how the number of solid and liquid atoms in such…
The temperature dependence of the symmetry energy and symmetry free energy coefficients of infinite nuclear matter and of finite nuclei is investigated. For infinite matter, both these coefficients are found to have a weaker dependence on…
An analytic method for deriving the free energy of a three-dimensional Ising-like system near the critical point in a homogeneous external field is developed in the $\rho^6$ model approximation. The mathematical description proposed for…
We study the lateral dependence of the Casimir energy for different corrugated gratings of arbitrary periodic profile. To this end we model the profiles as stacks of horizontal rectangular slices following the profiles' shape and evaluate…
A rigorous formalism for estimating noncovalent binding free energies and thermodynamic expectations from calculations in which receptor configurations are sampled independently from the ligand is derived. Due to this separation, receptor…
The process of protein folding from an unfolded state to a biologically active, folded conformation is governed by many parameters e.g the sequence of amino acids, intermolecular interactions, the solvent, temperature and chaperon…
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 consider the ferromagnetic quantum Heisenberg model in one dimension, for any spin $S\geq 1/2$. We give upper and lower bounds on the free energy, proving that at low temperature it is asymptotically equal to the one of an ideal Bose gas…
We consider the free energy difference restricted to a finite volume for certain pairs of incongruent thermodynamic states (if they exist) in the Edwards-Anderson Ising spin glass at nonzero temperature. We prove that the variance of this…
We argue that protein native state structures reside in a novel "phase" of matter which confers on proteins their many amazing characteristics. This phase arises from the common features of all globular proteins and is characterized by a…
The Free-Energy-Principle (FEP) is an influential and controversial theory which postulates a deep and powerful connection between the stochastic thermodynamics of self-organization and learning through variational inference. Specifically,…
Adopting a bottom-up point of view, we make a comparative study of the simplest extensions of the MSSM with extra tree level contributions to the lightest Higgs boson mass. We show to what extent a relatively heavy Higgs boson, up to…
We consider a possibility of capture of a heavy charged massive particle $\chi^-$ by the nucleus leading to appearance of a bound state. A simple analytic formula allowing to calculate binding energies of the $N\chi^-$ bound state for…
Perturbing a Go model towards a realistic protein Hamiltonian by adding non-native interactions, we find that the folding rate is in general enhanced as ruggedness is initially increased, as long as the protein is sufficiently large and…
Naturally evolving proteins gradually accumulate mutations while continuing to fold to thermodynamically stable native structures. This process of neutral protein evolution is an important mode of genetic change, and forms the basis for the…
Sample-to-sample free energy fluctuations in spin-glasses display a markedly different behaviour in finite-dimensional and fully-connected models, namely Gaussian vs. non-Gaussian. Spin-glass models defined on various types of random graphs…
We apply the thermal (imaginary time) perturbative expansion to the relevant effective field theory to compute characteristics of the phase transition to the ordered state which can occur at low temperatures in the gas of (nonrelativistic)…
A central goal of protein-folding theory is to predict the stochastic dynamics of transition paths --- the rare trajectories that transit between the folded and unfolded ensembles --- using only thermodynamic information, such as a…