Related papers: DDscat.C++ User and programmer guide

Given the widespread use of density functional theory (DFT), there is an increasing need for the ability to model large systems (beyond 1,000 atoms). We present a brief overview of the large-scale DFT code Conquest, which is capable of…

Yade is an extensible open-source framework for discrete numerical models, focused on the Discrete Element Method. The computation parts are written in c++ using a flexible object model and allowing independent implementation of new…

Extremely large antenna arrays (ELAAs) operating in high-frequency bands have spurred the development of near-field communication, driving advancements in beam training design. This paper introduces an efficient near-field beam training…

Automatic differentiation is a set of techniques to efficiently and accurately compute the derivative of a function represented by a computer program. Existing C++ libraries for automatic differentiation (e.g. Adept, Stan Math Library),…

We present an accurate, efficient and massively parallel finite-element code, DFT-FE, for large-scale ab-initio calculations (reaching $\sim 100,000$ electrons) using Kohn-Sham density functional theory (DFT). DFT-FE is based on a local…

We provide a theoretical foundation for the statistical approach for computing the absorption properties of particles in the Rayleigh domain. We present a general method based on the Discrete Dipole Approximation (DDA) to compute the…

The discrete cosine transform (DCT) is a central tool for image and video coding because it can be related to the Karhunen-Lo\`eve transform (KLT), which is the optimal transform in terms of retained transform coefficients and data…

This paper introduces the Discrete Dithered Desynchronization (D3sync) algorithm which is a decentralized Time Division Multiple Access (TDMA) technique in which a set of network nodes computes iteratively a conflict-free schedule so that…

Magnetic diffuse scattering -- the broad magnetic scattering features observed in neutron-diffraction data above a material's magnetic ordering temperature -- provides a rich source of information about the material's magnetic Hamiltonian.…

Depth completion is crucial for many robotic tasks such as autonomous driving, 3-D reconstruction, and manipulation. Despite the significant progress, existing methods remain computationally intensive and often fail to meet the real-time…

In this paper, we propose a new spectral decomposition method to simulate waves propagating in complicated waveguides. For the numerical solutions of waveguide scattering problems, an important task is to approximate the…

Watermarking is a technique to help identify the source of data points, which can be used to help prevent the misuse of protected datasets. Existing methods on code watermarking, leveraging the idea from the backdoor research, embed…

The fidelity of applications on near-term quantum computers is limited by hardware errors. In addition to errors that occur during gate and measurement operations, a qubit is susceptible to idling errors, which occur when the qubit is idle…

A program to generate codes in Fortran and C of the full Magnetohydrodynamic equations is shown. The program used the free computer algebra system software REDUCE. This software has a package called EXCALC, which is an exterior calculus…

As an extension of the 2D fractional Fourier transform (FRFT) and a special case of the 2D linear canonical transform (LCT), the gyrator transform was introduced to produce rotations in twisted space/spatial-frequency planes. It is a useful…

Rigorous coupled-wave analysis (RCWA) is a very effective tool for the studying optical properties of multilayered vertically invariant periodic structures. However, it fails to deal with arrays of small particles because of high gradients…

Guidance provides a simple and effective framework for posterior sampling by steering the generation process towards the desired distribution. When modeling discrete data, existing approaches mostly focus on guidance with the first-order…

Resonant inelastic x-ray scattering (RIXS) has become a very powerful experimental technique to probe a broad range of intrinsic elementary excitations, for example, from low energy phonons and (bi-)magnons to high energy $d$-$d$,…

ABACUS (Atomic-orbital Based Ab-initio Computation at USTC) is an open-source software for first-principles electronic structure calculations and molecular dynamics simulations. It mainly features density functional theory (DFT) and…

We present a new open-source program, DCore, that implements dynamical mean-field theory (DMFT). DCore features a user-friendly interface based on text and HDF5 files. It allows DMFT calculations of tight-binding models to be performed on…