mptensor (v0.2) on sekirei (ISSP System B) (2020.02.01)
Introduction Computation with tensor representation is the current fashion, with Google’s TensorFlow as …Read More
Molecular dynamics simulation of a peptide chain using Gromacs
Introduction Gromacs is open source software that performs molecular dynamics simulations. It has a number of …Read More
Calculation of the stress-strain curve of aluminum using LAMMPS
Introduction LAMMPS is one of the representative open-source software for molecular dynamics, and is widely us…Read More
Review Movie of FermiSurfer
Demonstration from download FermiSurfer to displaying Fermi surfaces Download/Install/Launch FermiSurfe…Read More
Example of ALPS: Application of QMC to the Heisenberg model
Introduction ALPS is a numerical simulation library where numerical methods are implemented such as density ma…Read More
Calculating static and dynamical susceptibilities of the one-dimensional Heisenberg model by DSQSS.
Introduction DSQSS is a computational library of continuous-time quantum Monte Carlo methods. The spin system …Read More
Usage of HPhi on MateriApps LIVE!
1. Introduction Here I introduce how to use HPhi on MateriApps LIVE!. “MaterialApps LIVE!” is a Li…Read More
Draw GaAs band structure using Quantum ESPRESSO
Introduction Quantum ESPRESSO is open-source software for first-principles calculation. The detailed documenta…Read More
Create a phonon band of Si with Quantum Espresso
Let’s draw a phonon band diagram of some suitable substance with Quantum Espresso preinstalled in Materi…Read More
Experience of LAMMPS simulations on MateriApps LIVE!（2019.7.11）
I performed an MD simulation by using LAMMPS(11 Aug 2017) on MateriApps LIVE!. Preparation： See Wiki of MaterA…Read More