Project: MolecularDynamicsSimulations_Bash Copyright (c) 2025 Guy Francis Mongelli
This project is licensed under the Apache License, Version 2.0. If you use this software in academic work, please cite the repository and the associated paper (see CITATION.cff and README).
Selected components may include third-party code; see LICENSE headers in individual files.
If you use this repository in academic work, please cite:
- Software: Mongelli, G.F. "Molecular Dynamics Simulations". v1.0.0. DOI: .
- Paper: Mongelli, G.F. "The surface activity of polymers in cosolvated systems determined from computational simulation." Polymer, 2025. DOI: https://doi.org/10.1016/j.polymer.2015.11.003.
See CITATION.cff for machine-readable metadata (GitHub’s “Cite this repository” button).
Licensing. Code (Python/Mathematica) is licensed under Apache-2.0.
Documentation, prose, and figures are licensed under CC BY 4.0.
In notebooks, code cells are Apache-2.0; narrative text/figures are CC BY 4.0.