相关论文: Wannier90 as a community code: new features and ap…

We investigate the possibility of constructing exponentially localized composite Wannier bases, or equivalently smooth periodic Bloch frames, for 3-dimensional time-reversal symmetric topological insulators, both of bosonic and of fermionic…

We propose an improved scheme to construct many-body trial wave functions for fractional Chern insulators (FCI), using one-dimensional localized Wannier basis. The procedure borrows from the original scheme on a continuum cylinder, but is…

Modularity maximization has been one of the most widely used approaches in the last decade for discovering community structure in networks of practical interest in biology, computing, social science, statistical mechanics, and more.…

The collaboration of several people in groups is becoming more and more important nowadays. Teamwork is often used for decision-making processes and for solving complex problems. Research in this area focuses on the quantification and…

Large Language Model (LLM) services fundamentally differ from traditional Deep Neural Network (DNN) applications in wireless networks. We identify three critical distinctions: (1) unlike traditional DNNs with unidirectional data flows,…

We present a novel approach to partitioning network nodes into non-overlapping communities - a key step in revealing network modularity and hierarchical organization. Our methodology, applicable to networks with both weighted and unweighted…

Task-based programming models have proven to be a robust and versatile way to approach development of applications for distributed environments. They provide natural programming patterns with high performance. However, execution on this…

Recent development on fractional Chern insulators and proximate phases call for a real space representation of isolated Chern bands. Here we propose a new method for a general construction of optimally localized Wannier functions from such…

IRPF90 is a Fortran programming environment which helps the development of large Fortran codes. In Fortran programs, the programmer has to focus on the order of the instructions: before using a variable, the programmer has to be sure that…

This work attempts to combine the strengths of two major technologies that have matured over the last three decades: global mixed-integer nonlinear optimization and branch-and-price. We consider a class of generally nonconvex mixed-integer…

We present MADWAVE3, a FORTRAN90 code designed for quantum time dependent wave packet propagation in triatomic systems. This program allows the calculation of state-to-state probabilities for inelastic and reactive collisions, as well as…

Wind energy resource assessment typically requires numerical models, but such models are too computationally intensive to consider multi-year timescales. Increasingly, unsupervised machine learning techniques are used to identify a small…

We propose a computational scheme for the ab initio calculation of Wannier functions (WFs) for correlated electronic materials. The full-orbital Hamiltonian H is projected into the WF subspace defined by the physically most relevant…

We review the derivation of the effective Dirac equation for ultracold atoms in one-dimensional bichromatic optical lattices, following the proposal by Witthaut et al. Phys. Rev. A 84, 033601 (2011). We discuss how such a derivation - based…

The existence and construction of exponentially localised Wannier functions for insulators is a well-studied problem. In comparison, the case of metallic systems has been much less explored, even though localised Wannier functions…

Community detection is a crucial task in network analysis that can be significantly improved by incorporating subject-level information, i.e. covariates. However, current methods often struggle with selecting tuning parameters and analyzing…

We prove that the block-coordinate Frank-Wolfe (BCFW) algorithm converges with state-of-the-art rates in both convex and nonconvex settings under a very mild "block-iterative" assumption. This appears to be the first result on BCFW…

We present a fully charge self-consistent implementation of dynamical mean field theory (DMFT) combined with density functional theory (DFT) for electronic structure calculations of materials with strong electronic correlations. The…

Significant improvements in the computational performance of the lattice-Boltzmann (LB) model, coded in FORTRAN90, were achieved through application of enhancement techniques. Applied techniques include optimization of array memory layouts,…

In this paper we present calculations on the electronic band structure of a two-dimensional lateral superlattice subject to a perpendicular magnetic field by employing a projection operator technique based on the ray-group of…