Related papers: Symmetr: a Python package for determining symmetry…
Symmetry is one of the most central concepts in physics, and it is no surprise that it has also been widely adopted as an inductive bias for machine-learning models applied to the physical sciences. This is especially true for models…
The aim of this paper is to propose a criterion of spontaneous symmetry breaking that makes reference to the properties of pure phases defined by a translationally invariant state. By avoiding any reference to the ground state, at the basis…
In this short review we present the key definitions, ideas and techniques involved in the study of symmetry resolved entanglement measures, with a focus on the symmetry resolved entanglement entropy. In order to be able to define such…
Crystal structure determines properties of materials. With the crystal structure of a chemical substance, many physical and chemical properties can be predicted by first-principles calculations or machine learning models. Since it is…
The concept of symmetry breaking and the emergence of corresponding local order parameters constitute the pillars of modern day many body physics. The theory of quantum entanglement is currently leading to a paradigm shift in understanding…
Symmetry formulated by group theory plays an essential role with respect to the laws of nature, from fundamental particles to condensed matter systems. Here, by combining symmetry analysis and tight-binding model calculations, we elucidate…
partycls is a Python framework for cluster analysis of systems of interacting particles. By grouping particles that share similar structural or dynamical properties, partycls enables rapid and unsupervised exploration of the system's…
The local arrangement of atoms is one of the most important predictors of mechanical and functional properties of materials. However, algorithms for identifying the geometrical arrangements of atoms in complex materials systems are lacking.…
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,…
This paper was motivated by the articles "Same or different - that is the question" in CrystEngComm (July 2020) and "Change to the definition of a crystal" in the IUCr newsletter (June 2021). Experimental approaches to crystal comparisons…
An increasing variety of crystal structures has been observed in soft condensed matter over the past two decades, surpassing most expectations for the diversity of arrangements accessible through classical driving forces. Here, we survey…
Crystals are the materials which can be described by uniform periodic lattices. Traditionally, only the 1-, 2-, 3-, 4- and 6-fold rotation symmetries are allowed in crystals because other n-fold rotation symmetries are forbidden by the…
In this note, we consider the highly nonconvex optimization problem associated with computing the rank decomposition of symmetric tensors. We formulate the invariance properties of the loss function and show that critical points detected by…
Twistronics is an emerging and captivating field in condensed matter physics and material science. However, accurately and efficiently calculating the electronic structures of twisted systems remains a significant challenge. To address…
We present PyCDFT, a Python package to compute diabatic states using constrained density functional theory (CDFT). PyCDFT provides an object-oriented, customizable implementation of CDFT, and allows for both single-point…
Symmetry is an implicit objective in structural form-finding that often reconciles efficiency and aesthetics. This paper identifies the symmetry of polyhedral diagrams in three-dimensional graphic statics (3DGS) as point groups and…
Particle systems admit a variety of tensor product structures (TPSs) depending on the algebra of observables chosen for analysis. Global symmetry transformations and dynamical transformations may be resolved into local unitary operators…
Symmetries are so involved in crystallographic detail that it is indispensable when crystal cell or lattice is mentioned. For nanocrystals, however, many are 'systemic symmetries', meaning that the whole structures of nanocrystal particles…
Physical systems are frequently modeled as sets of points in space, each representing the position of an atom, molecule, or mesoscale particle. As many properties of such systems depend on the underlying ordering of their constituent…
As is well known, crystals have discrete space translational symmetry. It was recently noticed that one-dimensional crystals possibly have discrete Poincar\'{e} symmetry, which contains discrete Lorentz and discrete time translational…