Data Driven Materials Science

Data-driven science is heralded as a new paradigm in materials science. In this field, data is the new resource, and knowledge is extracted from materials datasets that are too big or complex for traditional human reasoning - typically with the intent to discover new or improved materials or materials phenomena. We are currently involved in the development of two materials infrastructures, the Novel Materials Discovery (NOMAD) laboratory, and the Aalto Materials Digitalization Platform.


Data‐Driven Materials Science: Status, Challenges, and Perspectives, L. Himanen, A. Geurts, A. S. Foster and P. Rinke, Adv. Sci. 6, 1900808 (2019) 

Materials structure genealogy and high-throughput topological classification of surfaces and 2D materials, L. Himanen, P. Rinke, and A. S. Foster, npj Comput. Mater. 4, 52 (2018)