Related papers: A local orientational order parameter for systems …
We use the isoconfigurational (IC) ensemble to show the connection between emerging heterogeneities in the tetrahedral order parameter and the dynamic propensity in a mildly undercooled glass-forming liquid. We observe that spatially…
Preference orderings are orderings of a set of items according to the preferences (of judges). Such orderings arise in a variety of domains, including group decision making, consumer marketing, voting and machine learning. Measuring the…
The structural properties of dense random packings of identical hard spheres (HS) are investigated. The bond order parameter method is used to obtain detailed information on the local structural properties of the system for different…
We have studied systematically the influence of particle-hole symmetric and asymmetric kinetic terms on the ordered phases that we may observe competing or coexisting in a tetragonal system. We show that there are precise patterns of…
The Standard Model of the elementary particles is controlled by more than 20 parameters, of which it is not known today how they can be linked to deeper principles. Any attempt to clean up this theory, in general results in producing more…
The orientational correlation scheme introduced earlier for tetrahedral molecules is extended for being able to classify orientational correlations between pairs of high symmetry molecules. While in the original algorithm a given…
A routine crystallography technique, crystal structure analysis, is rarely performed in computational condensed matter research. The lack of methods to identify and characterize crystal structures reliably in particle simulation data…
Systems of classical continuous particles in the grand canonical ensemble interacting through purely attractive, yet stable, interactions are defined. By a lattice approximation, FKG ferromagnetic inequalities are shown to hold for such…
The general framework of entropic dynamics is used to formulate a relational quantum dynamics. The main new idea is to use tools of information geometry to develop an entropic measure of the mismatch between successive configurations of a…
As pointed out by Linus Pauling in his classic work on the relationship between crystal packing and ionic radius ratio, a difference in atomic size can be accommodated more readily by an ordered structure than by a disordered one. Because…
Data science and machine learning in materials science require large datasets of technologically relevant molecules or materials. Currently, publicly available molecular datasets with realistic molecular geometries and spectral properties…
Structure-property relationships in ordered materials have long been a core principle in materials design. However, the intentional introduction of disorder into materials provides structural flexibility and thus access to material…
The precise tracking of micron sized colloidal particles - held in the vicinity of each other using optical tweezers - is an elegant way to gain information about the particle-particle pair interaction potential. The accuracy of the method,…
Paradigmatic model systems, which are used to study the mechanical response of matter, are random networks of point-atoms, random sphere packings, or simple crystal lattices, all of these models assume central-force interactions between…
Structural quantities such as order parameters and correlation functions are often employed to gain insight into the physical behavior and properties of condensed matter systems. While standard quantities for characterizing structure exist,…
A molecular understanding of how protein function is related to protein structure will require an ability to understand large conformational changes between multiple states. Unfortunately these states are often separated by high free energy…
ew-electron systems confined in quasi one-dimensional quantum dots are studied by the configuration interaction approach. We consider the parity symmetry of states forming Wigner molecules in large quantum dots and find that for the…
The plasticity of amorphous solids undergoing shear is characterized by quasi-localized rearrangements of particles. While many models of plasticity exist, the precise relationship between plastic dynamics and the structure of a particle's…
Complex high-dimensional co-occurrence data are increasingly popular from a complex system of interacting physical, biological and social processes in discretely indexed modifiable areal units or continuously indexed locations of a study…
We study systems of Brownian particles on the real line, which interact by splitting the local times of collisions among themselves in an asymmetric manner. We prove the strong existence and uniqueness of such processes and identify them…