相关论文: Optimized local modes for lattice dynamical applic…

We show, through analytical theory and rigorous numerical calculations, that optical binding can organize a collection of particles into stable one-dimensional lattice. This lattice, as well as other optically-bound structures, are shown to…

We present a robust algorithm that computes (maximally localized) Wannier functions (WFs) without the need of providing an initial guess. Instead, a suitable starting point is constructed automatically from so-called local orbitals which…

We have developed a practical scheme to construct partly occupied, maximally localized Wannier functions (WFs) for a wide range of systems. We explain and demonstrate how the inclusion of selected unoccupied states in the definition of the…

We propose a new Monte Carlo algorithm for the numerical study of general lattice models in Hamiltonian form. The algorithm is based on an initial Ansatz for the ground state wave function depending on a set of free parameters which are…

An optimization method for the design of multi-lattice structures satisfying local buckling constraints is proposed in this paper. First, the concept of free material optimization is introduced to find an optimal elastic tensor distribution…

We present a multi-scale lattice Boltzmann scheme, which adaptively refines particles' velocity space. Different velocity sets, i.e., higher- and lower-order lattices, are consistently and efficiently coupled, allowing us to use the…

We introduce a new type of Wannier functions (WFs) obtained by minimizing the conventional spread functional with a penalty term proportional to the variance of the spread distribution. This modified Wannierisation scheme is less prone to…

We discuss a method for constructing generalized Wannier functions that are maximally localized at the minima of a one-dimensional periodic potential with a double-well per unit cell. By following the approach of (Marzari M and Vanderbilt D…

We present an automatized approach towards maximally localized Wannier functions (MLWFs) applicable to both occupied and unoccupied states. We overcome limitations of the standard optimized projection function (OPF) method and its…

We present a numerical scheme to solve the Wigner equation, based on a lattice discretization of momentum space. The moments of the Wigner function are recovered exactly, up to the desired order given by the number of discrete momenta…

We present a method for obtaining well-localized Wannier-like functions (WFs) for energy bands that are attached to or mixed with other bands. The present scheme removes the limitation of the usual maximally-localized WFs method (N. Marzari…

Maximally localized Wannier functions (MLWFs) are widely used to construct first-principles tight-binding models that accurately reproduce the electronic structure of materials. Recently, robust and automated approaches to generate these…

If we construct a lattice fermion formulation, there are a number of goals to be considered: doubling should be avoided; even at finite lattice spacing, we want to represent chiral symmetry in a sound way; and we are seeking a good scaling…

We provide a scheme for quantum computation in lattice systems via global but periodic manipulation, in which only effective periodic magnetic fields and global nearest neighbor interaction are required. All operations in our scheme are…

We introduce a Wannier-type formulation of periodic local vibrational mode theory that yields real-space-localized vibrational modes associated with individual internal coordinates in crystalline solids. These modes are constructed as…

A systematic method is presented for constructing effective Hamiltonians for general phonon-related structural transitions. The key feature is the application of group theoretical methods to identify the subspace in which the effective…

Superoscillating functions, i.e., functions that locally oscillate at a rate faster than their highest Fourier component, are of interest for applications from fundamental physics to engineering. Here, we develop a new method which allows…

Localized vibrations, arising from nonlinearities or symmetry breaking, pose a challenge in engineering, as the resulting high-amplitude vibrations may result in component failure due to fatigue. During operation, the emergence of…

A novel mesh refinement sensor is proposed for lattice Boltzmann methods (LBMs) applicable to either static or dynamic mesh refinement algorithms. The sensor exploits the kinetic nature of LBMs by evaluating the departure of distribution…

Many localization algorithms and systems have been developed by means of wireless sensor networks for both indoor and outdoor environments. To achieve higher localization accuracy, extra hardware equipments are utilized by most of the…