A Portal Site of Materials Science Simulation

TeNeS [1] was developed for obtaining the ground state of a quantum system defined on a two-dimensional lattic…Read More

Note: Unfortunately, OVITO has not been installed on the Docker version of MateriApps LIVE!. If you use the do…Read More

1. Introduction This review explains the band diagram, density of states and thermal conductivity of Si phonon…Read More

1. Introduction Phonopy is a post-processing program for extracting phonon properties in combination with firs…Read More

Introduction Here we write a review of LOBSTER’s test calculations. How to install and compile LOBSTER c…Read More

Introduction Here, I explain how we can build a material surface model (slab model) by ASE(Atomic Simulation E…Read More

1. Introduction Various quantum computer simulators are featured on MateriApps. This review describes how to i…Read More

Introduction Here, I write a review of test calculation of Psi4. Official tutorials can be found the following…Read More

Introduction Avogadro is a versatile molecular modeling and visualization tool. Windows, MacOS, and Linux bina…Read More

1. Introduction The molecular dynamics software LAMMPS can be used to handle soft matter problems. In particul…Read More