Related papers: A schematic model for molecular affinity and bindi…
We analyze the thermodynamic properties of interfaces in the three-dimensional Falicov Kimball model, which can be viewed as a primitive quantum lattice model of crystalline matter. In the strong coupling limit, the ionic subsystem of this…
Using the formalism of differential equations, we introduce a new method to continuously deform the $s$-embeddings associated with a family of Ising models as their coupling constants vary. This provides a geometric interpretation of the…
We consider a recently introduced generalization of the Ising model in which individual spin strength can vary. The model is intended for analysis of ordering in systems comprising agents which, although matching in their binarity (i.e.,…
In the context of elasticity theory, rigidity theorems allow to derive global properties of a deformation from local ones. This paper presents a new asymptotic version of rigidity, applicable to elastic bodies with sufficiently stiff…
The S=1/2, nearest-neighbor, kinetic Ising model has been used to model magnetization switching in nanoscale ferromagnets. For this model, earlier work based on the droplet theory of the decay of metastable phases and Monte Carlo…
We describe how the couplings in an asynchronous kinetic Ising model can be inferred. We consider two cases, one in which we know both the spin history and the update times and one in which we only know the spin history. For the first case,…
Structural heterogeneity of amorphous solids present difficult challenges that stymie the prediction of plastic events, which are intimately connected to their mechanical behavior. Based on a perturbation analysis of the potential energy…
The multifractal properties of the Edwards-Anderson order parameter of the short-range Ising spin glass model on d=3 diamond hierarchical lattices is studied via an exact recursion procedure. The profiles of the local order parameter are…
Experiments and computer simulation studies have revealed existence of rich dynamics in the orientational relaxation of molecules in confined systems such as water in reverse micelles, cyclodextrin cavities and nano-tubes. Here we introduce…
We consider the problem of inferring the interactions between a set of N binary variables from the knowledge of their frequencies and pairwise correlations. The inference framework is based on the Hopfield model, a special case of the Ising…
In real life, networks are dynamic in nature; they grow over time and often exhibit power-law degree sequences. To model the evolving structure of the internet, Barab\'{a}si and Albert introduced a simple dynamic model with a power-law…
We present novel information-theoretic limits on detecting sparse changes in Ising models, a problem that arises in many applications where network changes can occur due to some external stimuli. We show that the sample complexity for…
We report a numerical investigation of the visco-elastic behavior in models for steric repulsive and short-range attractive colloidal suspensions, along different paths in the attraction-strength vs packing fraction plane. More…
Existence and growth of amorphous order in supercooled liquids approaching glass transition is a subject of intense research. Even after decades of work, there is still no clear consensus on the molecular mechanisms that lead to a rapid…
We analyze the collective spin noise in interacting spin systems. General expressions are derived for the short time behaviour of spin systems with general spin-spin interactions, and we suggest optimum experimental conditions for the…
A powerful existing technique for evaluating statistical mechanical quantities in two-dimensional Ising models is based on constructing a matrix representing the nearest neighbor spin couplings and then evaluating the Pfaffian of the…
The overlap (inner product) between the ground-state eigenvectors with proximate interaction parameters, the so-called fidelity, plays a significant role in the quantum-information theory. In this paper, the critical behavior of the…
Motivation: Protein-ligand affinity prediction is an important part of structure-based drug design. It includes molecular docking and affinity prediction. Although molecular dynamics can predict affinity with high accuracy at present, it is…
We evaluate the feasibility of using co-folding models for synthetic data augmentation in training machine learning-based scoring functions (MLSFs) for binding affinity prediction. Our results show that performance gains depend critically…
The so-called indentation stiffness tomography technique for detecting the interior mechanical properties of an elastic sample with an inhomogeneity is analyzed in the framework of the asymptotic modeling approach under the assumption of…