Related papers: Symmetr: a Python package for determining symmetry…
Symmetry is an important feature of many constraint programs. We show that any problem symmetry acting on a set of symmetry breaking constraints can be used to break symmetry. Different symmetries pick out different solutions in each…
Symmetric quantum states are fascinating objects. They correspond to multipartite systems that remain invariant under particle permutations. This symmetry is reflected in their compact mathematical characterisation but also in their unique…
A general framework for the description of the physical properties of matter by a canonical reduction procedure of tensors is presented; besides geometrical symmetries, this paper emphasizes the role of intrinsic symmetries which are due…
In constraint programming and related paradigms, a modeller specifies their problem in a modelling language for a solver to search and return its solution(s). Using high-level modelling languages such as Essence, a modeller may express…
The crystalline solids with lack of orientational ordering of anisotropic particles serve the purpose of studying the disordered systems with many fundamental applications in contemporary research. Despite the orientational disorder,…
Crystals and other condensed phases are defined primarily by their inherent symmetries, which play a crucial role in dictating their structural properties. In crystallization studies, local order parameters (OPs) that describe bond…
Small and wide angle x-ray scattering tensor tomography are powerful methods for studying anisotropic nanostructures in a volume-resolved manner, and are becoming increasingly available to users of synchrotron facilities. The analysis of…
Time crystals are quantum many-body systems which are able to self-organize their motion in a periodic way in time. Discrete time crystals have been experimentally demonstrated in spin systems. However, the first idea of spontaneous…
We have developed a symmetry-adapted modeling procedure for molecules and crystals. By using the completeness of multipoles to express spatial and time-reversal parity-specific anisotropic distributions, we can generate systematically the…
Symmetry distills the simplicity of natural laws from the complexity of physical phenomena. The symmetry principle is of vital importance in various aspects of modern physics, including analyzing atomic spectra, determining fundamental…
Symmetry is one of the most general and useful concepts in physics. A theory or a system that has a symmetry is fundamentally constrained by it. The same constraints do not apply when the symmetry is broken. The quantitative determination…
We discuss the expansion of interaction kernels between anisotropic rigid molecules. The expansion decouples the correlated orientational variables so that it can be utilized to derive macroscopic models. Symmetries of two types are…
Geometric information such as the space groups and crystal systems plays an important role in the properties of crystal materials. Prediction of crystal system and space group thus has wide applications in crystal material property…
Understanding and predicting the thermodynamic properties of point defects in semiconductors and insulators would greatly aid in the design of novel materials and allow tuning the properties of existing ones. As a matter of fact,…
Computer simulation has become one of the most important tools in scientific research in many disciplines. Benefiting from the dynamical trajectories regulated by versatile interatomic interactions, various material properties can be…
Symmetry breaking is a fundamental concept in understanding quantum phases of matter, studied so far mostly through the lens of local order parameters. Recently, a new entanglement-based probe of symmetry breaking has been introduced under…
Magnetron sputtering is an essential technique in combinatorial materials science, enabling the efficient synthesis of thin-film materials libraries with continuous compositional gradients. For exploring multidimensional search spaces,…
Crystalline structure prediction is an essential prerequisite for designing materials with targeted properties. Yet, it is still an open challenge in materials design and drug discovery. Despite recent advances in computational materials…
The point group symmetry of materials is closely related to their physical properties and quite important for material modeling. However, superlattice materials have more complex symmetry conditions than crystals due to their multilevel…
Distortions are ubiquitous in nature. Under perturbations such as stresses, fields, or other changes, a physical system reconfigures by following a path from one state to another; this path, often a collection of atomic trajectories,…