About ARMAGNHAC
(A ratio-based Molecular Analyser and Generator of Numerous Hydrogenated Amorphous Carbons)

The data presented on this site has been generated using two algorithms:
• A SMILES Generator to obtain a variety of molecules respecting constraints on the ratios presented.
• A Structure Generator to obtain a multitude of conformations for each molecule.

Details of the method are presented in the following publication:
Valentin Milia, Mathias Rapacioli, Christophe Zanon, Juan Cortés, Nathalie Tarrat.
The ARMAGNHAC database: A Ratio-based Molecular Analyzer and Generator of Numerous Hydrogenated Amorphous Carbons.
The Journal of Physical Chemistry A, 2025. DOI: 10.1021/acs.jpca.5c04941; HAL Id : hal-05340323

The Team

Our team is composed of researchers, developers and engineers.

• Valentin MILIA
• Juan CORTES
• Nathalie TARRAT
• Mathias RAPACIOLI
• Christophe ZANON

PyMOL (Schrödinger, LLC) is used for molecular visualization on this website.