Roadmap on data-centric materials science

• DOI: 10.1088/1361-651x/ad4d0d
• Publication Date: 2024-05-17T22:25:08Z
• Authors: Stefan Bauer; Peter Benner; Tristan Bereau; Volker Blum; Mario Boley; Christian Carbogno; C Richard A Catlow; Gerhard Dehm; Sebastian Eibl; Ralph Ernstorfer; Ádám Fekete; Lucas Foppa; Peter Fratzl; Christoph Freysoldt; Baptiste Gault; Luca M Ghiringhelli; Sajal K Giri; Anton Gladyshev; Pawan Goyal; Jason Hattrick-Si...; Lara Kabalan; Petr Karpov; Mohammad S Khorrami; Christoph T. Koch; Sebastian Kokott; Thomas Kosch; Igor Kowalec; Kurt Kremer; Andreas Leitherer; Yue Li; Christian H Liebs...; Andrew J Logsdail; Zhongwei Lu; Felix Luong; Andreas Marek; Florian Merz; Jaber R Mianroodi; Jörg Neugebauer; Zongrui Pei; Thomas A R Purcell; Dierk Raabe; Markus Rampp; Mariana Rossi; Jan-Michael Rost; James Saal; Ulf Saalmann; Kasturi Narasimha...; Alaukik Saxena; Luigi Sbailò; Markus Scheidgen; Marcel Schloz; Daniel F Schmidt; Simon Teshuva; Annette Trunschke; Ye Wei; Gerhard Weikum; R Patrick Xian; Yi Yao; Junqi Yin; Meng Zhao; Matthias Scheffler
• Keywords: Condensed Matter - Materials Science; 0303 health sciences; 03 medical and health sciences; Physics - Data Analysis, Statistics and Probability; Materials Science (cond-mat.mtrl-sci); FOS: Physical sciences; Data Analysis, Statistics and Probability (physics.data-an)

Abstract Science is and always has been based on data, but the terms ‘data-centric’ ‘4th paradigm’ of materials research indicate a radical change in how information retrieved, handled performed. It signifies transformative shift towards managing vast data collections, digital repositories, innovative analytics methods. The integration artificial intelligence its subset machine learning, become pivotal addressing all these challenges. This Roadmap Data-Centric Materials explores fundamental concepts methodologies, illustrating diverse applications electronic-structure theory, soft matter microstructure research, experimental techniques like photoemission, atom probe tomography, electron microscopy. While roadmap delves into specific areas within broad interdisciplinary field science, provided examples elucidate key applicable to wider range topics. discussed instances offer insights multifaceted challenges encountered contemporary research.