Symmetry-adapted Wannier functions Symmetrization of the Hamiltonian and matrix elements Fast evaluation of k-space integrals Berry-type quantities: ...

The DFTB method, as well as its self-consistent charge corrected variant SCC-DFTB, has widened the range of applications of fundamentally well established theoretical tools. As an approximate ...

JEE Main 2026 Syllabus: The NTA has put the official JEE Main 2026 Syllabus online on their website: jeemain.nta.nic.in. If you're planning to take the JEE Main 2026 exam, you can find the full ...

This paper presents a novel approach for simulating acoustic-shell interaction, specifically focusing on seabed reflection effects. The interaction between acoustic waves and shell vibration is ...

A computer simulation approach known as the isogeometric (IGA) method may directly use the surface information of geometric model. In 3D computer graphics, Loop subdivision surfaces are a common ...

Elastic metamaterials—stretchable solids with an engineered micropattern of holes and ligaments—form an important class of matter due to their unusual, and tunable, mechanical properties.

FDINT is a free, open-source python package that provides fast, double precision (64-bit floating point) approximations to the Fermi-Dirac integrals of integer and half integer order, based on the ...

A spin-adapted configuration interaction with singles method that is based on a restricted open-shell reference function (ROCIS) with general total spin S is presented. All excited configuration state ...