An Interoperable Syntax for Gas Scattering Reaction Definition
Abstract
We propose a unified, human-readable, machine-processable novel syntax/notation designed to comprehensively describe reactions, molecules and excitation states. Our notation resolves inconsistencies in existing data representations and facilitates seamless integration with computational tools. We define a structured syntax for molecular species, excitation states, and reaction mechanisms, ensuring compatibility with a wide range of scientific applications. We provide a reference implementation based on Parsing Expression Grammar syntax, enabling automated parsing and interpretation of the proposed notation. This work is available as an open-source project, enabling validation and fostering its adoption and further improvement by the scientific community. Our standardized framework provides gas scattering models with increased interoperability and accuracy.
Cite
@article{arxiv.2504.09780,
title = {An Interoperable Syntax for Gas Scattering Reaction Definition},
author = {Dan Andrei Ciubotaru and Michele Renda and Călin Alexa},
journal= {arXiv preprint arXiv:2504.09780},
year = {2025}
}