Related papers: Space Group Conditional Flow Matching
Broken rotational and translational symmetries are the hallmarks of solid state materials. In contrast, quantum liquids and gases do not exhibit such properties. However, if we regard the logarithm of the absolute square of a quantum liquid…
The spontaneous symmetry breaking in a vibro-fluidized low-density granular gas in three connected compartments is investigated. When the total number of particles in the system becomes large enough, particles distribute themselves…
Finite-size neutrally buoyant particles in a channel flow are known to accumulate at specific equilibrium positions or spots in the channel cross-section if the flow inertia is finite at the particle scale. Experiments in different conduit…
The design of functional materials with desired properties is essential in driving technological advances in areas like energy storage, catalysis, and carbon capture. Generative models provide a new paradigm for materials design by directly…
Flow-based generative models show great potential in image synthesis due to its reversible pipeline and exact log-likelihood target, yet it suffers from weak ability for conditional image synthesis, especially for multi-label or unaware…
One of the greatest challenges facing our society is the discovery of new innovative crystal materials with specific properties. Recently, the problem of generating crystal materials has received increasing attention, however, it remains…
We study a two-dimensional crystal composed of active units governed by self-alignment. This mechanism induces a torque that aligns a particle's orientation with its velocity and leads to a phase transition from a disordered to a flocking…
Designing metal-organic frameworks (MOFs) synthesis protocols is currently largely driven by trial-and-error, since we lack fundamental understanding of the molecular level mechanisms that underlie their self-assembly processes. Previous…
The underlying structural order that transcends the liquid, glass and crystalline states is identified using an efficient genetic algorithm (GA). GA identifies the most common energetically favorable packing motif in crystalline structures…
We investigate the formation and stability of a pair of identical soft capsules in channel flow under mild inertia. We employ a combination of the lattice Boltzmann, finite element and immersed boundary methods to simulate the elastic…
The multiphase flow of droplets is widespread, both at the industrial and the microscale, for both biological and non-biological applications alike. But the ensemble interactions of such systems are inherently nonlinear and complex,…
Recent theories predict that when a supercooled liquid approaches the glass transition, particle clusters with a special "amorphous order" nucleate within the liquid, which lead to static correlations dictating the dramatic slowdown of…
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…
Parametric nonlinear optical processes are instrumental in optical quantum technology for generating entangled light. However, the range of materials conventionally used for producing entangled photons is limited. Metal-organic frameworks…
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…
It was predicted qualitatively in ref.[1] that skyrmion matter at low density is stable in an inhomogeneous phase where skyrmions condensate into lumps while the remaining space is mostly empty. The aim of this paper is to proof…
Soft particles are known to overlap and form stable clusters that self-assemble into periodic crystalline phases with density-independent lattice constants. We use molecular dynamics simulations in two dimensions to demonstrate that,…
Metastable materials are abundant in nature and technology, showcasing remarkable properties that inspire innovative materials design. However, traditional crystal structure prediction methods, which rely solely on energetic factors to…
The physically correct parametrization of the energy levels of transition ions in crystals in terms of crystal-field (CF) Hamiltonians ${\cal H}_{\rm CF}=\sum_{k}\sum_{q}B_{kq}C_{q}^{(k)}$ has to be based on the CF parameters $B_{kq}$ that…
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…