Progress in combustion science and engineering has led to the generation of large amounts
of data from large-scale simulations, high-resolution experiments, and sensors. This corpus …

The Hubbard model is the simplest model of interacting fermions on a lattice and is of similar
importance to correlated electron physics as the Ising model is to statistical mechanics or the …

Magic-angle (θ= 1.0 5°) twisted bilayer graphene (MATBG) has shown two seemingly
contradictory characters: the localization and quantum-dot-like behavior in STM …

The WIEN2k program is based on the augmented plane wave plus local orbitals (APW+ lo)
method to solve the Kohn–Sham equations of density functional theory. The APW+ lo …

As we begin to reach the limits of classical computing, quantum computing has emerged as
a technology that has captured the imagination of the scientific world. While for many years …

Abinit is a material-and nanostructure-oriented package that implements density-functional
theory (DFT) and many-body perturbation theory (MBPT) to find, from first principles …

Kohn–Sham Density Functional Theory (KSDFT) is the most widely used electronic structure
method in chemistry, physics, and materials science, with thousands of calculations cited …

Altermagnetism is a newly identified fundamental class of magnetism with vanishing net
magnetization and time-reversal symmetry broken electronic structure. Probing the unusual …

Abstract The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an
integrated infrastructure to accelerate materials discovery and design using density …

Using ab initio band structure and DFT+ dynamical mean-field theory methods we examine
the effects of electron-electron interactions on the normal state electronic structure, Fermi …