Mitsuaki Kawamura

TL;DR: Recent extensions and improvements are described, covering new methodologies and property calculators, improved parallelization, code modularization, and extended interoperability both within the distribution and with external software.

TL;DR: Quantum ESPRESSO as discussed by the authors is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the-art electronic-structure techniques, based on density functional theory, density functional perturbation theory, and many-body perturbations theory, within the plane-wave pseudo-potential and projector-augmented-wave approaches.

TL;DR: This work presents a detailed investigation of the β_{12} sheet, which is a borophene structure that can form spontaneously on a Ag(111) surface, and suggests monolayer boron as a new platform for realizing novel high-speed low-dissipation devices.

TL;DR: How to use FermiSurfer is explained and its usefulness is demonstrated by investigating the origin of the anisotropic superconductivity of YNi 2 B 2 C by using the tetrahedron method.

TL;DR: In this article, the superconducting transition temperatures in sulfur hydrides were calculated from first principles using the density functional theory for superconductors and the isotope effect coefficient was shown to be larger than the conventional value (0.5).