atomes: Analysis, visualization, edition and post-processing of 3D atomic scale models
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 step.
Authors
- Sébastien Le Roux
Institutions
- Centre National de la Recherche Scientifique (FR)
- Institut de Physique et Chimie des Matériaux de Strasbourg (FR)
- Université de Strasbourg (FR)
Publication Details
- Journal
- Computational Materials Science
- Published
- 2025-03-18
- DOI
- https://doi.org/10.1016/j.commatsci.2025.113805
- Citations
- 2
- Primary Topic
- Advanced Chemical Physics Studies
- Type
- article
- Field-Weighted Citation Impact
- 2.49