相关论文: The crossing model for regular $A_n$-crystals

We give a purely combinatorial proof of the positivity of the stabilized forms of the generalized exponents associated to each classical root system. In finite type A_{n-1}, we rederive the description of the generalized exponents in terms…

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…

Let $G$ be a simple graph on $d$ vertices. We define a monomial ideal $K$ in the Stanley-Reisner ring $A$ of the order complex of the Boolean algebra on $d$ atoms. The monomials in $K$ are in one-to-one correspondence with the proper…

The regular graph of ideals of the commutative ring $R$, denoted by $\Gamma_{reg}(R)$, is a graph whose vertex set is the set of all non-trivial ideals of $R$ and two distinct vertices $I$ and $J$ are adjacent if and only if either $I$…

For coherent families of crystals of affine Lie algebras of type B^{(1)}_n, D^{(1)}_n, A^{(2)}_{2n} and D^{(2)}_{n+1} we describe the combinatorial R matrix using column insertion algorithms for B,C,D Young tableaux.

Using methods from Analytic Combinatorics, we study the families of perfect matchings, partitions, chord diagrams, and hyperchord diagrams on a disk with a prescribed number of crossings. For each family, we express the generating function…

Crystallization is a fundamental process in materials science, providing the primary route for the realization of a wide range of new materials. Crystallization rates are also considered to be useful probes of glass-forming ability. At the…

The equidistribution of many crossing and nesting statistics exists in several combinatorial objects like matchings, set partitions, permutations, and embedded labelled graphs. The involutions switching nesting and crossing numbers for set…

We present n-1 different embeddings of string polytopes of type A. We characterize their compatibility with the crystal structure on the string polytopes, and formulate a conjecture describing how to obtain n-1 different atomic…

Let $\mathfrak g$ be an affine Lie algebra with index set $I = \{0, 1, 2, \cdots , n\}$ and ${\mathfrak g}^L$ be its Langlands dual. It is conjectured by Kashiwara et al.([16]) that for each $k \in I \setminus \{0\}$ the affine Lie algebra…

Crystalline materials are a fundamental component in next-generation technologies, yet modeling their distribution presents unique computational challenges. Of the plausible arrangements of atoms in a periodic lattice only a vanishingly…

Physicochemical characterization of materials is central to the field of science and engineering and is essential to design new/engineered materials with specific properties. Assays available for small-molecules, e.g., XRD, NMR, LC-MS,…

Superconductivity owes its properties to the phase of the electron pair condensate that breaks the $U(1)$ symmetry. In the most traditional ground state, the phase is uniform and rigid. The normal state can be unstable towards special…

We give a new realization of arbitrary level perfect crystals and arbitrary level irreducible highest weight crystals of type $D_n^{(1)}$, in the language of Young walls. The notions of splitting of blocks and slices play crucial roles in…

Configurations are necklaces with prescribed numbers of red and black beads. Among all possible configurations, the regular one plays an important role in many applications. In this paper, several aspects of regular configurations are…

In 1958, Hill conjectured that the minimum number of crossings in a drawing of $K_n$ is exactly $Z(n) = \frac{1}{4} \lfloor\frac{n}{2}\rfloor \left\lfloor\frac{n-1}{2}\right\rfloor…

A simple model of the molecular crystal of $N$ atoms as a statistical mixture in real space of $NX$ atoms in excited and $N(1-X)$ atoms in well localized ground state is considered. The phase coherence of the atomic wave functions is…

Generative models for crystalline materials often rely on equivariant graph neural networks, which capture geometric structure well but are costly to train and slow to sample. We present Crystalite, a lightweight diffusion Transformer for…

We describe simplicity of the Stacey crossed product A\times_\beta \N in terms of conditions of the endomorphism \beta. Then, we use a characterization of the graph C*-algebras C*(E) as the Stacey crossed product…

The paper presents mathematical models of quasicrystals with particular attention given to cut-and-project sets. We summarize the properties of higher-dimensional quasicrystal models and then focus on the one-dimensional ones. For the…