Advances in Computational Software for Chemistry and Materials Science
A special issue of Software (ISSN 2674-113X).
Deadline for manuscript submissions: 20 February 2025 | Viewed by 181
Special Issue Editors
Interests: quantum chemistry; computational chemistry; ab initio MD
Special Issue Information
Dear Colleagues,
This Special Issue discusses the latest software developments in computational chemistry, biomolecular simulation, and materials science. Building these tools is challenging due to the need for massive parallelization and handling data- and computation-intensive tasks. However, recent advances are making it possible to tackle complex problems more efficiently, helping researchers model molecular interactions, study chemical reactions, and design new materials. This Special Issue highlights innovative solutions that improve performance, usability, and accuracy, driving progress in scientific research and industry applications.
Dr. Xin Chen
Dr. Yongtao Ma
Guest Editors
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. Software 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
- molecular simulation software
- quantum chemistry software
- materials design software
- computational chemistry software suites
- multiscale modeling software
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