Related papers: Unveiling Crystal Embeddings: New Perspectives on …
We applied synchrotron single-crystal X-ray diffraction in a diamond anvil cell at 48-51 GPa and first-principles theoretical calculations to study the crystal structure of solid atomic iodine at high pressure. We report the synthesis of…
We have developed an efficient and reliable methodology for crystal structure prediction, merging ab initio total-energy calculations and a specifically devised evolutionary algorithm. This method allows one to predict the most stable…
For affine Lie algebra $\mathfrak{g}$ of type $A^{(1)}_{n-1}$, $B^{(1)}_{n-1}$, $C^{(1)}_{n-1}$, $D^{(1)}_{n-1}$, $A^{(2)}_{2n-2}$, $A^{(2)}_{2n-3}$ or $D^{(2)}_{n}$, let $B(\lambda)$ and $B(\infty)$ be the crystal bases of integrable…
We derive atomic decompositions and frames for weighted Bergman spaces of several complex variables on the unit ball in the spirit of Coifman, Rochberg, and Luecking. In contrast to our predecessors, we use group theoretic methods, in…
Kerov, Kirillov, and Reshetikhin defined a bijection between highest weight vectors in the crystal graph of a tensor power of the vector representation, and combinatorial objects called rigged configurations, for type $A^{(1)}_n$. We define…
We consider embeddings of a finite complex in a sphere. We give a homotopy theoretic classification of such embeddings in a wide range.
Molecular crystals possess a highly complex crystallographic landscape which in many cases results in the experimental observation of multiple crystal structures for the same compound. Accurate results can often be obtained for such systems…
The projected electrostatic potential of a thick crystal is reconstructed at atomic-resolution from experimental scanning transmission electron microscopy data recorded using a new generation fast- readout electron camera. This practical…
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…
Throughout the physical sciences, entropy stands out as a pivotal but enigmatic concept that, in materials design, often takes a backseat to energy. Here, we demonstrate how to precisely engineer entropy to achieve desired colloidal…
The crystal base of the modified quantized enveloping algebras of type $A_{+\infty}$ or $A_\infty$ is realized as a set of integral bimatrices. It is obtained by describing the decomposition of the tensor product of a highest weight crystal…
We apply crystal theory to affine Schubert calculus, Gromov-Witten invariants for the complete flag manifold, and the positroid stratification of the positive Grassmannian. We introduce operators on decompositions of elements in the…
It was previously shown that at critical central charge, $N$-extended superstrings can be embedded in $(N+1)$-extended superstrings. In other words, $(N=0,c=26)\to (N=1,c=15)\to (N=2,c=6)\to (N=3,c=0) \to (N=4,c=0) $. In this paper, we show…
Optical properties in solids, such as refractive index and absorption, hold vast applications ranging from solar panels to sensors, photodetectors, and transparent displays. However, first-principles computation of optical properties from…
We present a polynomial-time algorithm that discovers all maximal patterns in a point set, $D\subset\mathbb{R}^k$, that are related by transformations in a user-specified class, $F$, of bijections over $\mathbb{R}^k$. We also present a…
We give a necessary and sufficient condition for an MV polytope $P$ in a highest weight crystal to lie in an arbitrary fixed Demazure crystal (resp., opposite Demazure crystal), in terms of the lengths of edges along a path through the…
Classical hard spheres crystallize at equilibrium at high enough density. Crystals made up of stackings of 2-dimensional hexagonal close-packed layers (e.g. fcc, hcp, etc.) differ in entropy by only about $10^{-3}k_B$ per sphere (all…
We introduce a type $A$ crystal structure on decreasing factorizations of fully-commutative elements in the 0-Hecke monoid which we call $\star$-crystal. This crystal is a $K$-theoretic generalization of the crystal on decreasing…
Optimal geometrical arrangements, such as the stacking of atoms, are of relevance in diverse disciplines. A classic problem is the determination of the optimal arrangement of spheres in three dimensions in order to achieve the highest…
In this paper, we give an explicit combinatorial realization of the crystal B(\lambda) for an irreducible highest weight U_q(q(n))-module V(\lambda) in terms of semistandard decomposition tableaux. We present an insertion scheme for…