MaterialsAtlas Reading List
Crystal structure prediction from first principles
reading-liststarter-packprimer-papercrystal-structure-predictionmaterials-science
Primer Paper for Crystal structure prediction. Classic primer on first-principles crystal structure prediction and why it matters for materials discovery.
Citation: Crystal structure prediction from first principles. Nature Materials 2008. https://doi.org/10.1038/nmat2321
Acknowledgement: Curated by MaterialsAtlas Open Resources from OpenAlex, Crossref, and manual landmark-paper review.