Review
Last Update:2025/06/11
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
Atomic Simulation Environment (ASE)
A set of python modules for modeling atomic structures, running simulations, and visualizing results. These modules provide interfaces for various application of first-principles calculation, classical molecular dynamics, and quantum chemical calculation through GUI, command line, or python scripts. The source code is available under the LGPL.