Artificial Intelligence Driven Design of Functional Molecular Materials
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Materials Chemistry".
Deadline for manuscript submissions: closed (31 August 2020) | Viewed by 181
Special Issue Editor
Interests: molecular solids; global optimization; structure–function relationships; electronic materials and thin-film technology
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
With the use of artificial intelligence in the research of molecular materials, the development cycle of the new materials can be significantly shortened from 10 to 20 years down to one or two years. In the recent years, the rapid developments in machine-learning methodologies and their active applications in computational molecular science has provided the community with new and powerful tools in generalizing high-dimensional structure–property relationships, accelerating quantum chemical calculations through data-driven interpolations, planning routes for organic synthesis, inspiring the development of new global optimization technique, and so on. This Special Issue in “Artificial Intelligence Driven Design of Functional Molecular Materials” is designed to showcase the latest development machine learning enabled research for the design of functional materials, which will cover the following topics of interests:
- New machine-learning algorithms for molecular designs
- Global optimization methods for molecular systems
- Artificial intelligence driven designs of molecules for drugs, organic optoelectronics, sensing, gas adsorption and other applications
- Design and planning of chemical synthesis
Prof. Sean Li
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. 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
- New machine-learning algorithms for molecular designs
- Global optimization methods for molecular systems
- Artificial intelligence driven designs of molecules for drugs, organic optoelectronics, sensing, gas adsorption and other applications
- Design and planning of chemical synthesis
