Computational Materials Science

Section scope

This section covers computational materials science within materials science and nanotechnology. It welcomes foundational questions, methodological contributions and well-supported applications that make a clear scholarly contribution. Authors should identify the problem, explain why the chosen approach is suitable, and report the sources, methods, assumptions or evidence needed for readers to assess the work.

Example topics

The following examples illustrate the section’s subject range; they are not an exhaustive list.

• Foundational questions, concepts, theories or methods concerning computational materials science within materials science and nanotechnology.
• Research using theoretical, computational, experimental or characterization methods suited to the scientific question, with controls and uncertainty reported to examine a defined problem in computational materials science.
• Comparative, interdisciplinary or applied studies connecting computational materials science with broader questions in materials science and nanotechnology, when the section’s scholarly contribution is explicit.

Scope boundary

Submissions that mention computational materials science but do not make a substantive contribution, use methods appropriate to the question or support conclusions with suitable evidence fall outside this section’s scope.

Editorial assessment

Once the journal opens, a qualified editor will assess section fit and, where appropriate, coordinate independent peer review. Editors will make decisions under the journal’s published review and ethics policies.