The physics of quantum materials is dictated by many-body interactions and mathematical
concepts such as symmetry and topology that have transformed our understanding of matter …

Neighboring carbon and sandwiched between non‐metals and metals in the periodic table
of the elements, boron is one of the most chemically and physically versatile elements, and …

Although high-transition-temperature (high-T c) superconductivity in cuprates has been
known for more than three decades, the underlying mechanism remains unknown …

The newly discovered Ruddlesden-Popper bilayer La 3 Ni 2 O 7 reaches a remarkable
superconducting transition temperature T c≈ 80 K under a pressure of above 14 GPa. Here …

Motivated by the recent report of room-temperature superconductivity at near-ambient
pressure in N-doped lutetium hydride, we performed a comprehensive, detailed study of the …

This article reviews the theory of electron-phonon interactions in solids from the point of view
of ab initio calculations. While the electron-phonon interaction has been studied for almost a …

Abstract The EPW (Electron-Phonon coupling using Wannier functions) software is a
Fortran90 code that uses density-functional perturbation theory and maximally localized …

FermiSurfer is a newly developed Fermi-surface viewer designed to facilitate the
understanding of the physical properties of metals. It can display the Fermi surfaces of a …

For decades, borides have been primarily studied as crystallographic oddities. With such a
wide variety of structures (a quick survey of the Inorganic Crystal Structure Database counts …

This book is an introduction to the quantum theory of materials and first-principles
computational materials modelling. It explains how to use density functional theory as a …