Terms of Use and Licensing Policy for atomistica.online 2025

Preamble

The mission of atomistica.online 2025 is to provide high-quality computational chemistry, molecular modeling, machine learning, and materials science software free of charge to the academic community under the Academic License, while ensuring the long-term sustainability of the platform through Commercial Licensing.

These Terms of Use and Licensing Policy define the conditions under which atomistica.online 2025 may be used and the responsibilities of its users.

1. General Terms

atomistica.online 2025 is a collection of online and desktop applications designed for atomistic simulations, molecular modeling, machine learning, and other scientific computing tasks in chemistry, physics, materials science, and related disciplines.

The platform is intended to support researchers, educators, and students in their academic and scientific activities.

By accessing or using atomistica.online 2025, you acknowledge that you have read, understood, and agree to be bound by these Terms of Use and Licensing Policy.

2. Academic License

The Academic License permits the use of atomistica.online 2025 exclusively for non-commercial academic research and teaching.

The Academic License is granted free of charge to eligible users affiliated with non-profit universities, governmental research organizations, public research institutes, and other non-profit educational institutions.

Eligible users include researchers, faculty members, students, postdoctoral researchers, and staff affiliated with such organizations.

Commercial entities, including but not limited to for-profit universities, private research organizations, industrial laboratories, consulting companies, corporate educational organizations, and commercial enterprises, are not eligible for the Academic License and must obtain a Commercial License before using the platform.

When registering for an account, users are required to use their official institutional email address.

Academic users who do not possess an institutional email address should contact office@atomistica.online to request access.

The Academic License is granted subject to full compliance with these Terms of Use and Licensing Policy.

3. Commercial License

A valid Commercial License is required for any commercial use of atomistica.online 2025.

Commercial use includes, but is not limited to:

• research performed for commercial or industrial organizations;
• industry-funded research projects;
• contract research;
• consulting activities;
• internal industrial research and development;
• product development;
• commercial services based on results generated using the platform;
• publications or other scholarly outputs involving commercial organizations as described in Section 3A.

Organizations interested in obtaining a Commercial License should contact: office@atomistica.online

3A. Publications Involving Commercial Organizations

The Academic License is intended exclusively for scholarly work conducted and published by authors affiliated solely with non-profit academic, educational, governmental, or public research institutions.

If any publication, conference paper, preprint, technical report, white paper, patent application, thesis, dissertation, or any other scholarly work generated using atomistica.online 2025 includes one or more authors whose listed affiliation is a commercial or for-profit organization, the use of the platform for that work shall be considered commercial use.

Accordingly, a valid Commercial License must be obtained before atomistica.online 2025 is used in connection with that work.

This requirement applies regardless of:

• which author performed the calculations;
• where the calculations were performed;
• whether the commercial author directly accessed or operated the software;
• the level of contribution made by the commercial author;

• whether the research originated within an academic institution.

The presence of a commercial or for-profit affiliation among the authors constitutes commercial participation in the work and therefore requires Commercial Licensing.

Authors with dual affiliations that include both an academic institution and a commercial or for-profit organization are also subject to this policy.

If there is any uncertainty regarding whether a particular affiliation is considered commercial, users should contact office@atomistica.online before using the platform.

Additional Licensing Enforcement

Commercial organizations may not circumvent the licensing requirements by delegating computational work to collaborators operating under the Academic License when the resulting research, publication, report, patent application, or other scholarly work benefits, includes, or is co-authored by the commercial organization or its representatives.

If it is determined that atomistica.online 2025 has been used in violation of these licensing terms, including through attempts to circumvent the Commercial License requirements described above, the developers reserve the right to require payment of the applicable Commercial License fee.

Such payment shall not waive or excuse the original violation of these Terms of Use.

The developers further reserve the right to suspend or terminate access to the platform and to pursue any other remedies available under applicable law.

4. Citation Requirement

The Academic License for atomistica.online 2025 is granted on the condition that appropriate acknowledgment of the platform is provided in all academic, scientific, technical, and scholarly works that substantially benefit from the platform or utilize results generated with it.

Users are required to cite the following publications, as appropriate:

Stevan Armaković and Sanja J. Armaković
ATOMISTICA.ONLINE – WEB APPLICATION FOR GENERATING INPUT FILES FOR ORCA MOLECULAR MODELING PACKAGE MADE WITH THE ANVIL PLATFORM
Molecular Simulation, 49 (1) (2023), 117–123
DOI: 10.1080/08927022.2022.2126865

Stevan Armaković and Sanja J. Armaković
ONLINE AND DESKTOP GRAPHICAL USER INTERFACES FOR XTB PROGRAM FROM ATOMISTICA.ONLINE
Molecular Simulation, 50 (2024), 560–570
DOI: 10.1080/08927022.2024.2329736

Stevan Armaković and Sanja J. Armaković
PREDICTING PROPERTIES OF IMIDAZOLIUM-BASED IONIC LIQUIDS VIA ATOMISTICA.ONLINE: MACHINE LEARNING MODELS AND WEB TOOLS
Computation, 13 (9) (2025), 216
DOI: 10.3390/computation13090216

Failure to provide the required citation(s) constitutes a violation of these Terms of Use and of the conditions governing the Academic License.

The developers reserve the right to revoke the Academic License for the corresponding work and to require payment of the applicable Commercial License fee.

Such payment shall not waive or excuse the original violation of these Terms of Use.

Users who repeatedly fail to comply with the citation requirement may also have their access to atomistica.online 2025 suspended or permanently revoked.

5. Supporting atomistica.online 2025

atomistica.online 2025 is developed and maintained independently as a resource for the global scientific community.

Users who wish to support continued development, maintenance, software improvements, documentation, and server infrastructure may do so through the official Buy Me a Coffee page:

https://buymeacoffee.com/atomistica

Any contribution is greatly appreciated and helps ensure the long-term sustainability and continued development of the platform.

6. Disclaimer

atomistica.online 2025 is provided “as is”, without warranties of any kind, whether express or implied.

The developers make no representations or guarantees regarding the correctness, completeness, reliability, availability, or fitness of the software for any particular purpose.

Users are solely responsible for:

• verifying the correctness of generated input files;
• validating computational results;
• interpreting scientific conclusions;

• ensuring that the software is appropriate for their intended applications.

The developers shall not be liable for any direct, indirect, incidental, consequential, exemplary, or special damages arising from the use of, or inability to use, the platform.

7. Contact Information

For questions regarding Academic Licensing, Commercial Licensing, institutional licensing, collaborations, or general support, please contact: office@atomistica.online