Computer Modeling and Reaction Mechanisms in Chemistry
A special issue of Compounds (ISSN 2673-6918).
Deadline for manuscript submissions: closed (31 December 2023) | Viewed by 4368
Special Issue Editor
Interests: quantum and computational chemistry; inorganic and coordination chemistry; organometallic chemistry; organic chemistry; catalysis; non-covalent interactions; machine learning and artificial intelligence in chemistry
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Computer modeling, machine learning, and artificial intelligence are cutting-edge topics in chemistry today. The application of information technologies in natural sciences can help us to collect big data and understand patterns that are not obvious to humans. In this Special Issue, we plan to collect interdisciplinary works in the fields of computational and quantum chemistry, computational statistics, artificial intelligence, machine learning, neural networks, predictive analytics, data mining, and data science. Manuscripts dealing with chemical compounds; the relationship between the structure, the properties, or the functions of all kinds of compounds (including mechanical, thermal, structural, electric, magnetic, and optical properties); as well as chemical theory (including thermodynamics, kinetics, mechanisms, and reactivity) and applications are welcome. Both conceptual and applied works in any format (from short communications to comprehensive reviews) are welcome. We look forward to your contributions.
Dr. Alexander S. Novikov
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 100 words) can be sent to the Editorial Office for announcement on this website.
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. Compounds is an international peer-reviewed open access quarterly 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 1000 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
- computer modeling
- machine learning
- artificial intelligence
- chemistry
- noncovalent interactions
- reaction mechanisms
- compounds
- molecules
- chemical substances
- reactivity
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