npj Computational Materials

Aims & Scope

npj Computational Materials publishes high-quality research papers that apply computational approaches for the design of new materials, and for enhancing our understanding of existing ones.

New computational techniques – and the refinement of current approaches – that facilitate these aims are also welcome, as are experimental papers that complement computational findings.

Representative journal scope includes: application and development of existing and emerging theoretical and simulation approaches for the study of materials in their entirety (organic and inorganic). structure and property prediction of new materials, such as by the ‘materials by design’ paradigm. significant new understanding of materials fundamentals, behavior and properties. integrative/complementary experimental works that serve to validate, support and extend computational findings. high-throughput techniques – both computational and experimental – for large data set generation, and materials data mining.

Metrics & Ranking

Abstracting & Indexing

Journal is indexed in leading academic databases, ensuring global visibility and accessibility of our peer-reviewed research.

• Scopus
• Google Scholar
• Directory of Open Access Journals (DOAJ)
• Web of Science

Subjects & Keywords

Journal’s research areas, covering key disciplines and specialized sub-topics in Computer Science, Engineering, Materials Science and Mathematics, designed to support cutting-edge academic discovery.

Licensing & Copyright

This journal operates under an Open Access model. Articles are freely accessible to the public immediately upon publication. The content is licensed under a Creative Commons Attribution 4.0 International License (CC BY 4.0), allowing users to share and adapt the work with proper attribution.

Copyright remains with the author(s), and no permission is required for non-commercial use, provided the original source is cited.

Policy Links

This section provides access to essential policy documents, guidelines, and resources related to the journal’s publication and submission processes.

• Aims scope
• Homepage
• Oa statement
• Author instructions
• License terms
• Review url
• Board url
• Copyright url
• Plagiarism url
• Preservation url
• Apc url
• License

Plagiarism Policy

This journal follows a plagiarism policy. All submitted manuscripts are screened using reliable plagiarism detection software to ensure originality and academic integrity. Authors are responsible for proper citation and acknowledgment of all sources, and any form of plagiarism, including self-plagiarism, will not be tolerated.

For more details, please refer to our official: Plagiarism Policy.

APC Details

The journal’s Article Processing Charge (APC) policies support open access publishing in Computer Science, Engineering, Materials Science and Mathematics, ensuring accessibility and quality in research dissemination.

This journal requires an Article Processing Charge (APC) to support open access publishing, covering peer review, editing, and distribution. The current APC is 2,790.00 EUR. Learn more.

Explore journals without APCs for alternative publishing options.