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The use of machine learning methods for accelerating the design of crystalline materials usually requires manually constructed feature vectors or complex transformation of atom coordinates to input the crystal structure, which either…

材料科学 · 物理学 2018-04-10 Tian Xie , Jeffrey C. Grossman

Crystalline materials are widely used in technological applications, yet their discovery remains a significant challenge. As their properties are driven by structure, crystal structure prediction (CSP) methods play a central role in…

机器学习 · 计算机科学 2026-04-28 Stavros Gerolymatos , J. Kyle Brubaker , Martin J. A. Schuetz , Vladimir V. Gusev

This paper provides results on the modular representation theory of the supergroup $GL(m|n).$ Working over a field of arbitrary characteristic, we prove that the explicit combinatorics of certain crystal graphs describe the representation…

表示论 · 数学 2007-05-23 Jonathan Kujawa

We give a realization of the quantum affine Lie algebras $\uqa$ and $\uqc$ in terms of anyons defined on a one-dimensional chain (or on a two-dimensional lattice), the deformation parameter $q$ being related to the statistical parameter…

q-alg · 数学 2008-11-26 L. Frappat , A. Sciarrino , S. Sciuto , P. Sorba

We give a crystal structure on the set of Gelfand-Tsetlin patterns which parametrize bases for finite-dimensional irreducible representations of the general linear Lie algebra. The crystal data are given in closed form, expressed using…

表示论 · 数学 2020-05-15 Jonas T. Hartwig , O'Neill Kingston

A regular $A_n$-crystal is an edge-colored directed graph, with $n$ colors, related to an irreducible highest weight integrable module over $U_q(sl_{n+1})$. Based on Stembridge's local axioms for regular simply-laced crystals and a…

表示论 · 数学 2010-11-15 V. I. Danilov , A. V. Karzanov , G. A. Koshevoy

We study, in the path realization, crystals for Demazure modules of affine Lie algebras of types $A^{(1)}_n,B^{(1)}_n,C^{(1)}_n,D^{(1)}_n, A^{(2)}_{2n-1},A^{(2)}_{2n}, and D^{(2)}_{n+1}$. We find a special sequence of affine Weyl group…

q-alg · 数学 2008-02-03 A. Kuniba , K. C. Misra , M. Okado , T. Takagi , J. Uchiyama

We provide a geometric realization of the crystal $B(\infty)$ for quantum generalized Kac-Moody algebras in terms of the irreducible components of certain Lagrangian subvarieties in the representation spaces of a quiver.

量子代数 · 数学 2008-10-31 Seok-Jin Kang , Masaki Kashiwara , Olivier Schiffmann

Weyl group multiple Dirichlet series and metaplectic Whittaker functions can be described in terms of crystal graphs. We present crystals as parameterized by Littelmann patterns and we give a survey of purely combinatorial constructions of…

组合数学 · 数学 2018-10-16 Anna Puskás

We introduce the notion of a crystal base of a finite dimensional q-deformed Kac module over the quantum superalgebra $U_q(\gl(m|n))$, and prove its existence and uniqueness. In particular, we obtain the crystal base of a finite dimensional…

量子代数 · 数学 2016-06-21 Jae-Hoon Kwon

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…

量子代数 · 数学 2016-08-23 Kailash C. Misra , Toshiki Nakashima

We construct a crystal base of the negative half of a quantum orthosymplectic superalgebra. It can be viewed as a limit of the crystal bases of $q$-deformed irreducible oscillator representations. We also give a combinatorial description of…

量子代数 · 数学 2025-10-29 Il-Seung Jang , Jae-Hoon Kwon , Akito Uruno

Quantum graphs are commonly used as models of complex quantum systems, for example molecules, networks of wires, and states of condensed matter. We consider quantum statistics for indistinguishable spinless particles on a graph,…

数学物理 · 物理学 2011-01-11 JM Harrison , JP Keating , JM Robbins

We give a realization of quantum affine Lie algebra $U_q(\hat A_{N-1})$ in terms of anyons defined on a two-dimensional lattice, the deformation parameter $q$ being related to the statistical parameter $\nu$ of the anyons by $q =…

高能物理 - 理论 · 物理学 2008-11-26 L. Frappat , A. Sciarrino , S. Sciuto , P. Sorba

In this paper, we study the fractional decomposition of the quantum enveloping affine algebras $U_Q(\hat A(n))$ and $U_Q(\hat{C}(n))$ with vanishing central charge in the limit $Q\to q=e^{\frac{2i\pi}k}$ . This decomposition is based on the…

高能物理 - 理论 · 物理学 2014-10-07 M. Mansour , E. H. Zakkari

Crystal bases are powerful combinatorial tools in the representation theory of quantum groups $U_q(\mathfrak{g})$ for a symmetrizable Kac-Moody algebras $\mathfrak{g}$. The polyhedral realizations are combinatorial descriptions of the…

量子代数 · 数学 2025-03-12 Yuki Kanakubo

Quantum affine reflection algebras are coideal subalgebras of quantum affine algebras that lead to trigonometric reflection matrices (solutions of the boundary Yang-Baxter equation). In this paper we use the quantum affine reflection…

量子代数 · 数学 2007-09-11 Gustav W. Delius , Alan George

Quantum chemistry often considers atoms and molecules with non-zero spin. In such cases, the need for proper spin functions results in the theory of configuration state functions. Here, we consider the construction of such wavefunctions…

化学物理 · 物理学 2019-04-25 Sahil Gulania , James Daniel Whitfield

We give a general way of representing the crystal (base) corresponding to the intgrable highest weight modules of quantum Kac-Moody algebras, which is called polyhedral realizations. This is applied to describe explicitly the crystal bases…

量子代数 · 数学 2007-05-23 Toshiki Nakashima

Supervised learning with deep models has tremendous potential for applications in materials science. Recently, graph neural networks have been used in this context, drawing direct inspiration from models for molecules. However, materials…

材料科学 · 物理学 2023-01-18 Sékou-Oumar Kaba , Siamak Ravanbakhsh