In recent years, predictive computational modeling has become a cornerstone for the study
of fundamental electronic, optical, and thermal properties in complex forms of condensed …

The ability of magnetic materials to modify superconductors is an active research area for
possible applications in thermoelectricity, quantum sensing, and spintronics. We consider …

This review discusses the electronic properties and the prospective research directions of
superconductor-graphene heterostructures. The basic electronic properties of graphene are …

In physics, it is sometimes desirable to compute the so-called density of states (DOS), also
known as the spectral density, of a real symmetric matrix A. The spectral density can be …

Graphene's remarkable electronic properties have fuelled the vision of a graphene-based
platform for lighter, faster and smarter electronics and computing applications. One of the …

We report on a theoretical study of the spin Hall Effect (SHE) and weak antilocalization
(WAL) in graphene/transition metal dichalcogenide (TMDC) heterostructures, computed …

We describe an efficient numerical approach to calculate the longitudinal and transverse
Kubo conductivities of large systems using Bastin's formulation. We expand the Green's …

Motivated by a recent experimental observation of superconductivity in the Al-Zn-Mg
quasicrystal, we study the low-temperature behavior of electrons moving in the …

In a molecule formed by two atoms, energy difference between bonding and antibonding
orbitals depends on distance between the two atoms. However, exploring molecular orbitals …

Monolayer NbSe 2 is a nodal topological Ising superconductor at magnetic in-plane fields
exceeding the Pauli limit, with nodal points strictly on high-symmetry lines in the Brillouin …