Related papers: Space Group Conditional Flow Matching
Atom arrangement plays a critical role in determining material properties. It is, therefore, essential for materials science and engineering to identify and characterize distinct atom configurations. Currently, crystal structures can be…
Time crystals are many-body systems that spontaneously break time-translation symmetry, and thus exhibit long-range spatiotemporal order and robust periodic motion. Recent results have demonstrated how to build time-crystal phases in driven…
Continuous time crystals, i.e., nonequilibrium phases with a spontaneously broken continuous time-translational symmetry, have been studied and recently observed in the long-time dynamics of open quantum systems. Here, we investigate a…
Predicting phase stabilities of crystal polymorphs is central to computational materials science and chemistry. Such predictions are challenging because they first require searching for potential energy minima and then performing arduous…
Nonlinear processes are often governed by selection rules imposed by the symmetries of the molecular configurations. The most well-known examples include the role of mirror symmetry breaking for the generation of even harmonics, and the…
Many remarkably robust, rapid and spontaneous self-assembly phenomena in nature can be modeled geometrically starting from a collection of rigid bunches of spheres. This paper highlights the role of symmetry in sphere-based assembly…
Functions which are equivariant or invariant under the transformations of a compact linear group $G$ acting in an euclidean space $\real^n$, can profitably be studied as functions defined in the orbit space of the group. The orbit space is…
The interaction of light with rotating bodies has been historically limited to rotation frequencies much smaller than optical frequencies. Here, we investigate synthetic crystal rotations, i.e., spatiotemporal modulations mimicking the…
We present a high-throughput, end-to-end pipeline for organic crystal structure prediction (CSP) -- the problem of identifying the stable crystal structures that will form from a given molecule based only on its molecular composition. Our…
We consider crystal formation of particles with dipole-dipole interactions that are confined to move in a one-dimensional helical geometry with their dipole moments oriented along the symmetry axis of the confining helix. The stable…
The constant demand for new functional materials calls for efficient strategies to accelerate the materials design and discovery. In addressing this challenge, machine learning generative models can offer promising opportunities since they…
We introduce the time glass, a non-periodic analogue of the discrete time crystal that arises in periodically driven dissipative quantum many-body systems. This phase is defined by two key features: (i) spatial long-range order arising from…
Group synchronization arises when two or more synchronization patterns coexist in a network formed of oscillators of different types, with the systems in each group synchronizing on the same time-evolution, but systems in different groups…
Nematic liquid crystals exhibit configurations in which the underlying ordering changes markedly on macroscopic length scales. Such structures include topological defects in the nematic phase and tactoids within nematic-isotropic…
Time crystals are unexpected states of matter that spontaneously break time translation symmetry either in a discrete or continuous manner. However, spatially-mesoscale space-time crystals that break both the space and time symmetries have…
In glass physics, order parameters have long been used in the thermodynamic description of glasses, but the nature is not yet clear. The difficulty is how to find order in disordered systems. The usual treatment of glass as an exceptional…
Continuous time crystals (CTCs) are characterized by sustained oscillations that break the time translation symmetry. Since the ruling out of equilibrium CTCs by no-go theorems, the emergence of such dynamical phases has been observed in…
Gapped systems with glide symmetry can be characterized by a Z_2 topological invariant. We study the magnetic photonic crystal with a gap between the second and third lowest bands, which is characterized by the nontrivial glide-Z_2…
A novel method for crystal structure prediction, based on metadynamics and evolutionary algorithms, is presented here. This technique can be used to produce efficiently both the ground state and metastable states easily reachable from a…
The design of novel materials hinges on the understanding of structure-property relationships. However, in recent times, our capability to synthesize a large number of materials has outpaced our speed at characterizing them. While the…