Case / Article
Surface Bain distortion
ISSP Activity Report 2023, p. 129…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.