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

Institutions

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
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

atomes: Analysis, visualization, edition and post-processing of 3D atomic scale models

Sébastien Le Roux
2 citations
Computational Materials Science
Advanced Chemical Physics Studies
2.49
article

atomes: Analysis, visualization, edition and post-processing of 3D atomic scale models

Sébastien Le Roux
article en
2 citations

Abstract

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.

Computational Materials ScienceVol. 253
Centre National de la Recherche Scientifique (FR), Institut de Physique et Chimie des Matériaux de Strasbourg (FR), Université de Strasbourg (FR)
Openalex Percentile: Top 13%
Advanced Chemical Physics Studies
2.49
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.