Related papers: Symmetry-adapted modeling for molecules and crysta…

We extend the previous study of extracting crystalline symmetry-protected topological invariants to the correlated regime. We construct the interacting Hofstadter model defined on square lattice with the rotation and translation symmetry…

A new class of matching condition between the atomistic and continuum regions is presented for the multi-scale modeling of crystals. They ensure the accurate passage of large scale information between the atomistic and continuum regions and…

We consider the problem of generating periodic materials with deep models. While symmetry-aware molecule generation has been studied extensively, periodic materials possess different symmetries, which have not been completely captured by…

Site-occupancy disorder, defined as the non-periodic occupation of lattice sites in a crystal structure, is a ubiquitous phenomenon in solid-state physics and chemistry. Examples are mineral solid solutions, synthetic non-stoichiometric…

The requirement of generating predictions that exactly fulfill the fundamental symmetry of the corresponding physical quantities has profoundly shaped the development of machine-learning models for physical simulations. In many cases,…

We discuss the physics of crystals with small polydispersity near the jamming transition point. For this purpose, we introduce an effective single-particle model taking into account the nearest neighbor structure of crystals. The model can…

Computing the dispersion relation for two-dimensional photonic crystals is a notoriously challenging task: It involves solving parameterized Helmholtz eigenvalue problems with high-contrast coefficients. To resolve the challenge, we propose…

Patterns arise spontaneously in a range of systems spanning the sciences, and their study typically focuses on mechanisms to understand their evolution in space-time. Increasingly, there has been a transition towards controlling these…

Simple models for spherical particles with a soft shell have been shown to self-assemble into numerous crystal phases and even quasicrystals. However, most of these models rely on a simple pairwise interaction, which is usually a valid…

Topological photonics has recently emerged as a very general framework for the design of unidirectional edge waveguides immune to back-scattering and deformations, as well as other platforms that feature extreme nonreciprocal wave…

We show that an ultra-cold atomic cloud bouncing on an oscillating mirror can reveal spontaneous breaking of a discrete time translation symmetry. In many-body simulations we illustrate the process of the symmetry breaking that can be…

Using a coarse molecular-dynamics (CMD) approach with an appropriate choice of coarse variable (order parameter), we map the underlying effective free-energy landscape for the melting of a crystalline solid. Implementation of this approach…

Generally, natural scientific problems are so complicated that one has to establish some effective perturbation or nonperturbation theories with respect to some associated ideal models. In this Letter, a new theory that combines…

Modern generative models hold great promise for accelerating diverse tasks involving the simulation of physical systems, but they must be adapted to the specific constraints of each domain. Significant progress has been made for…

Symmetry is a guiding principle in physics that allows to generalize conclusions between many physical systems. In the ongoing search for new topological phases of matter, symmetry plays a crucial role because it protects topological…

Mesoscopic structure of the periodically alternating layers of stretched homopolymer chains surrounded by perpendicularly oriented oligomeric tails is studied for the systems with both strong (ionic) and weak (hydrogen) interactions. We…

We introduce and numerically solve a mathematical model of the experimentally established mechanisms responsible for the symmetry breaking transition observed in the chiral crystallization experiments reported by I. Weissbuch, L. Addadi, L.…

A continuum density-field formulation with particle-scale resolution is constructed to simultaneously incorporate the orientation dependence of interparticle interactions and the rotational invariance of the system, a fundamental but…

Inverse medium problems involve the reconstruction of a spatially varying unknown medium from available observations by exploring a restricted search space of possible solutions. Standard grid-based representations are very general but all…

This article presents a systematic methodology for modeling a class of flexible multidimensional mechanical structures defined by linear elastic relations that directly allows to obtain their infinite-dimensional port-Hamiltonian…