相关论文: BoltzTraP2, a program for interpolating band struc…

Entropic regularization provides a simple way to approximate linear programs whose constraints split into two or more tractable blocks. The resulting objectives are amenable to cyclic Kullback-Leibler (KL) Bregman projections, with…

We demonstrate how the spin-1/2 XYZ quantum Heisenberg model can be realized with bosonic atoms loaded in the p band of an optical lattice in the Mott regime. The combination of Bose statistics and the symmetry of the p-orbital wave…

Elucidating a connection with nonlinear Fourier analysis, we extend a well known algorithm in quantum signal processing to represent measurable signals by square summable sequences. Each coefficient of the sequence is Lipschitz continuous…

Special optical structures composed of superconducting nanostructure based on the elemental type-II and layered high-Tc superconductors are proposed. The photonic band structure and the optical S-matrix are calculated for these proposed…

CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular and biological systems. It is especially aimed at massively-parallel and linear-scaling…

Makkeh, Theis, and Vicente found in [8] that Cone Programming model is the most robust to compute the Bertschinger et al. partial information decompostion (BROJA PID) measure [1]. We developed a production-quality robust software that…

In this paper, an iterative algorithm is designed to compute the sparse graphs for traveling salesman problem (TSP) according to the frequency quadrilaterals so that the computation time of the algorithms for TSP will be lowered. At each…

In this paper, we introduce the software suite, Hermes, which provides fast, novel algorithms for RNA secondary structure kinetics. Using the fast Fourier transform to efficiently compute the Boltzmann probability that a secondary structure…

The nonequilibrium total dielectric function lends itself to a simple and general method for calculating the inelastic collision term in the electron Boltzmann equation for scattering from a coupled mode system. Useful applications include…

In the context of adaptive optics for astronomy, one can rely on the statistics of the turbulent phase to assess a part of the system's performance. Temporal statistics with one source and spatial statistics with two sources are well-known…

The metal-semiconductor contact is a major factor limiting the shrinking of transistor dimension to further increase device performance. In-plane edge contacts have the potential to achieve lower contact resistance due to stronger orbital…

The analysis of Fourier-transformed scanning-tunneling-microscopy (STM) images with subatomic resolution is a common tool for studying properties of quasiparticle excitations in strongly correlated materials. While Fourier amplitudes are…

Given a smooth bump function, we consider the multiplier formed by taking the linear combination of the translations of the bump function and the corresponding bilinear Fourier multiplier operator. Under certain condition on the bump…

We propose a relaxation-based approximate inference algorithm that samples near-MAP configurations of a binary pairwise Markov random field. We experiment on MAP inference tasks in several restricted Boltzmann machines. We also use our…

Bootstrap percolation on a graph is a deterministic process that iteratively enlarges a set of occupied sites by adjoining points with at least $\theta$ occupied neighbors. The initially occupied set is random, given by a uniform product…

We consider Schr\"odinger operators with periodic potentials on periodic discrete graphs. Their spectrum consists of a finite number of bands. We obtain two-sided estimates of the total bandwidth for the Schr\"odinger operators in terms of…

We present PYATB, a Python package designed for computing band structures and related properties of materials using the ab initio tight-binding Hamiltonian. The Hamiltonian is directly obtained after conducting self-consistent calculations…

The program {\tt TOPAZ0} is designed for computing $Z^0$ parameters, de-convoluted and QED-dressed cross sections and forward-backward asymmetries of $e^+ e^-$ annihilation into fermion pairs and of Bhabha scattering around the $Z^0$ peak,…

The Boltzmann equation for inelastic and rough hard spheres is considered as a model of a dilute granular gas. In this model, the collisions are characterized by constant coefficients of normal and tangential restitution and hence the…

In PRL 116 (2016) no.6, 062001, the space of planar pentagon functions that describes all two-loop on-shell five-particle scattering amplitudes was introduced. In the present paper we present a natural extension of this space to non-planar…