ISSP Activity Report 2023, p. 64…Read More
Equilibrium/nonequilibrium electrochemistry of disordered solid-state interfaces
ISSP Activity Report 2023, p. 81…Read More
Structure analysis of Sb/Bi heterostructure on Si(111) by Total-Reflect High-Energy Positron Diffraction with 2DMAT
ISSP Activity Report 2023, p. 332-333…Read More
HPC-based fusion of quantum simulation, experiment analysis and data-driven science
ISSP Activity Report 2023, p. 103…Read More
TeNeS for 2D quantum model calculation
TeNeS [1] was developed for obtaining the ground state of a quantum system defined on a two-dimensional lattic…Read More
Visualization of LAMMPS results using OVITO in MateriApps LIVE!
Note: Unfortunately, OVITO has not been installed on the Docker version of MateriApps LIVE!. If you use the do…Read More
Calculation of thermal conductivity of Si using ALAMODE and Quantum ESPRESSO
1. Introduction This review explains the band diagram, density of states and thermal conductivity of Si phonon…Read More
Phonon calculation for NaCl using Phonopy and Quantum ESPRESSO
1. Introduction Phonopy is a post-processing program for extracting phonon properties in combination with firs…Read More
LOBSTER Test Calculation Experience
Introduction Here we write a review of LOBSTER’s test calculations. How to install and compile LOBSTER c…Read More
Building a material surface model by ASE (Atomic Simulation Environment)
Introduction Here, I explain how we can build a material surface model (slab model) by ASE(Atomic Simulation E…Read More