Examples and Challenges of Generative AI Use in Inorganic Chemistry Research
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Inorganic Chemistry".
Deadline for manuscript submissions: 31 December 2026 | Viewed by 50
Special Issue Editor
Special Issue Information
Dear Colleagues,
Molecules’ submission guidelines (below) explicitly state that generative AI cannot be authored. However, the rapid reversal of generative AI in recent years is having an impact and bringing critical implications not only to society but also to inorganic chemistry research. This Special Issue solicits original research papers and review articles on inorganic chemistry research applying generative AI, or on raising concerns about problems and challenges arising from such applications.
The equal roles of authors should also be adequately disclosed in the author contributions statement. Generative artificial intelligence (GenAI) tools and other large language models (LLMs) cannot be listed as authors as these tools do not meet MDPI’s requirements for authorship. Please read the criteria to qualify for authorship.
Prof. Dr. Takashiro Akitsu
Guest Editor
Manuscript Submission Information
Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 250 words) can be sent to the Editorial Office for assessment.
Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.
Keywords
- generative AI in inorganic chemistry
- machine learning for inorganic materials
- inorganic reaction prediction
- AI‑driven coordination chemistry
- computational inorganic chemistry
- inorganic crystal structure prediction
- inorganic synthesis optimization
- AI for energy‑related inorganic materials
- inorganic photocatalysts
- AI‑based electronic structure analysis
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