A Portal Site of Materials Science Simulation

Introduction Quantum ESPRESSO is open-source software for first-principles calculation. The detailed documenta…Read More

Let’s draw a phonon band diagram of some suitable substance with Quantum Espresso preinstalled in Materi…Read More

I performed an MD simulation by using LAMMPS(11 Aug 2017) on MateriApps LIVE!. Preparation： See Wiki of MaterA…Read More

I introduce how to use OpenMX3.8 on MateriApps LIVE!. Preparation： See Wiki of MaterApps LIVE! for details on …Read More

I performed DFT simulations by using xTAPP(170619-3) on MateriApps LIVE!. Preparation: See Wiki of MaterApps L…Read More

Introduction ALPS is a numerical simulation library where numerical methods are implemented such as density ma…Read More

Introduction For quantum spin systems, whether the software package can or cannot calculate the dynamical stru…Read More

Materials for tutorial of materials informatics with scikit-learn is being developed by Dr. H. Kino at NIMS. •…Read More

Most first-principles codes rely on the use of the periodic boundary condition. This goes well with bulk cryst…Read More