atomes

Entered: Tue May 27 2025

Operating systems: Linux; MacOS; MS Windows

Type: Binary; Source

Languages: C; Fortran

Distribution: Free

Application fields: Chemistry; Graphics; Materials science; Modelling; Structure; Surface; Visualization

Bibliography: Le Roux S., Computational Materials Science Volume 253, May 2025, 113805

Description: atomes is a cross-platform open source program developed to analyze, to visualize and to edit/create large three-dimensional atomic scale models. By regrouping advanced analysis techniques, 3D visualization and 3D edition, atomes introduces innovative 3D rendering possibilities and intuitive applications of the calculation results. atomes also provides an advanced input preparation system for further calculations using well known classical, ab-initio and QM-MM molecular dynamics codes. To prepare the input files for these calculations is likely to be the key, and most complicated step towards MD simulations.atomes offers a user-friendly assistant to help and guide the user step by step to achieve this crucial goal.

References: https://atomes.ipcms.fr/