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 167
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
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Keywords
- molecular simulation software
- quantum chemistry software
- materials design software
- computational chemistry software suites
- multiscale modeling software
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