Related papers: Numerical Methods for Quasicrystals
We present an acceleration of the well-established Krylov-Ritz methods to compute the sign function of large complex matrices, as needed in lattice QCD simulations involving the overlap Dirac operator at both zero and nonzero baryon…
One possible way to obtain the quasicrystallographic structures is the projections of the higher dimensional lattices into 2D or 3D subspaces. In this work we introduce a general technique applicable to any higher dimensional lattice. We…
Accelerated proximal gradient methods have recently been developed for solving quasi-static incremental problems of elastoplastic analysis with some different yield criteria. It has been demonstrated through numerical experiments that these…
Quasicrystals are characterized by quasi-periodic arrangements of atoms. The description of their mechanics involves deformation and a (so called phason) vector field accounting at macroscopic scale of local phase changes, due to atomic…
An alternative methodology to evaluate two-electron-repulsion integrals based on numerical approximation is proposed. Computational chemistry has branched into two major fields with methodologies based on quantum mechanics and classical…
Linearly repetitive cut and project sets are mathematical models for perfectly ordered quasicrystals. In a previous paper we presented a characterization of linearly repetitive cut and project sets. In this paper we extend the classical…
A new method for finding electronic structure and wavefunctions of electrons in quasiperiodic potential is introduced. To obtain results it uses slightly modified Schrodinger equation in spaces of dimensionality higher than physical space.…
Diophantine approximation is traditionally the study of how well real numbers are approximated by rationals. We propose a model for studying Diophantine approximation in an arbitrary totally bounded metric space where the rationals are…
It is well known that using high-order numerical algorithms to solve fractional differential equations leads to almost the same computational cost with low-order ones but the accuracy (or convergence order) is greatly improved, due to the…
We introduce a construction to embed a quasiperiodic lattice of obstacles into a single unit cell of a higher-dimensional space, with periodic boundary conditions. This construction transparently shows the existence of channels in these…
We propose a novel projection-based particle method for solving the McKean-Vlasov stochastic differential equations. Our approach is based on a projection-type estimation of the marginal density of the solution in each time step. The…
Quasicrystals are metal alloys whose noncrystallographic symmetry and lack of structural periodicity challenge methods of experimental structure determination. Here we employ quantum-based total-energy calculations to predict the structure…
Understanding the growth of quasicrystals poses a challenging problem, not the least because the quasiperiodic order present in idealized mathematical models of quasicrystals prohibit simple local growth algorithms. This can only be…
The quasi-independent curvilinear coordinate approximation (QUICCA) method [K. N\'emeth and M. Challacombe, J. Chem. Phys. {\bf 121}, 2877, (2004)] is extended to the optimization of crystal structures. We demonstrate that QUICCA is valid…
The strip projection method is the most important way to generate quasiperiodic patterns with predefined local structure. We have obtained a very efficient algorithm for this method which allows one to use it in superspaces of very high…
We survey mathematical properties of quasicrystals, first from the point of view of harmonic analysis, then from the point of view of morphic and automatic sequences. Nous proposons un tour d'horizon de propri\'et\'es math\'ematiques des…
In this work, we study the nucleation of quasicrystals from liquid or periodic crystals by developing an efficient order-order phase transition algorithm, namely the nullspace-preserving saddle search method. Specifically, we focus on…
Constrained quasiconvex optimization problems appear in many fields, such as economics, engineering, and management science. In particular, fractional programming, which models ratio indicators such as the profit/cost ratio as fractional…
In the numerical treatment of large-scale Sylvester and Lyapunov equations, projection methods require solving a reduced problem to check convergence. As the approximation space expands, this solution takes an increasing portion of the…
The quasicontinuum (QC) method, originally proposed by Tadmor, Ortiz and Phillips in 1996, is a computational technique that can efficiently handle regular atomistic lattices by combining continuum and atomistic approaches. In the present…