This Virtual Special Issue will spotlight remarkable advancements in theoretical and computational modeling of chemical reactions. Submit your manuscript by October 1, 2024.
To promote further advancements in theoretical and computational modeling of chemical reactions, the Journal of Chemical Information and Modeling (JCIM) is pleased to announce the release of a Virtual Special Issue: Modeling Reactions from Chemical Theories to Machine Learning. The focal objective of this Virtual Special Issue is to spotlight remarkable advancements in this area.
Chemical reactions underpin molecular construction and transformation that define biological processes and the science of new materials. Our fundamental understanding of chemical reactions has been built on the principles of quantum mechanics (QM) and statistical mechanics (QM) and has led to the theoretical framework used in reaction modeling. In cases of intricate macromolecular systems, the integration of classical molecular mechanics (MM) embedding a QM description of the essential actors in the reaction, has made QM/MM approaches increasingly popular.
We are requesting interested authors to submit their manuscripts by October 1, 2024, with the expected publication date being December 2024. We look forward to your contributions.
Organizing Editors
Professor Kenneth M. Merz, Jr., Editor-in-Chief, JCIM
Michigan State University, United States | Email
Professor Kevin J. Naidoo, Associate Editor, JCIM
University of Cape Town, South Africa | Email
Professor Guo-Wei Wei, Associate Editor, JCIM
Michigan State University, United States | Email
Submission Information
Submissions are welcome through October 1, 2024.
If your paper is accepted for inclusion in this Virtual Special Issue, your work will be highlighted as a significant contribution to this field. If accepted, publications will go online as soon as possible and be published in the next available issue. Publications on this topic will be gathered into a Virtual Special Issue in December 2024 and widely promoted thereafter.
All articles will be peer reviewed prior to acceptance, to ensure they fit the scope of the Virtual Special Issue and meet the high scientific publishing standards of Journal of Chemical Information and Modeling.
How to Submit
- Log in to the ACS Paragon Plus submission site.
- Choose Journal of Chemical Information and Modeling as your journal.
- Select your manuscript type.
- Under the ‘Special Issue Selection’, choose ‘Modeling Reactions from Chemical Theories to Machine Learning.’
Please see the journal's Author Guidelines for more information on submission requirements.
