Review

Atomic Simulation Environment (ASE)

Openness:3 ★★★
Document quality:3 ★★★

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.

Last Update:2025/10/29

Trying out universal machine learning potentials

MateriApps Developers

Machine learning potential–related techniques are attracting attention as a way to achieve fast, large-scale, …Read More

Last Update:2025/06/11

Building a material surface model by ASE (Atomic Simulation Environment)

Masahiro FUKUDA

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

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