Roadmap on data-centric materials science
Science is and always has been based on data, but the terms ‘data-centric’ and the ‘4th paradigm’ of materials research indicate a radical change in how information is retrieved, handled and research is performed. It signifies a transformative shift towards managing vast data collections, digital repositories, and innovative data analytics methods. The integration of artificial intelligence and its subset machine learning, has become pivotal in addressing all these challenges. This Roadmap on Data-Centric Materials Science explores fundamental concepts and methodologies, illustrating diverse applications in electronic-structure theory, soft matter theory, microstructure research, and experimental techniques like photoemission, atom probe tomography, and electron microscopy. While the roadmap delves into specific areas within the broad interdisciplinary field of materials science, the provided examples elucidate key concepts applicable to a wider range of topics. The discussed instances offer insights into addressing the multifaceted challenges encountered in contemporary materials research.
This Roadmap on Data-Centric Materials Science explores fundamental concepts and methodologies, illustrating diverse applications in electronic-structure theory, soft matter theory, microstructure research, and experimental techniques like photoemission, atom probe tomography, and electron microscopy.
@article{Bauer_2024, title={Roadmap on data-centric materials science}, volume={32}, ISSN={1361-651X}, url={http://dx.doi.org/10.1088/1361-651X/ad4d0d}, DOI={10.1088/1361-651x/ad4d0d}, number={6}, journal={Modelling and Simulation in Materials Science and Engineering}, publisher={IOP Publishing}, author={Bauer, Stefan and Benner, Peter and Bereau, Tristan and Blum, Volker and Boley, Mario and Carbogno, Christian and Catlow, C Richard A and Dehm, Gerhard and Eibl, Sebastian and Ernstorfer, Ralph and Fekete, Ádám and Foppa, Lucas and Fratzl, Peter and Freysoldt, Christoph and Gault, Baptiste and Ghiringhelli, Luca M and Giri, Sajal K and Gladyshev, Anton and Goyal, Pawan and Hattrick-Simpers, Jason and Kabalan, Lara and Karpov, Petr and Khorrami, Mohammad S and Koch, Christoph T. and Kokott, Sebastian and Kosch, Thomas and Kowalec, Igor and Kremer, Kurt and Leitherer, Andreas and Li, Yue and Liebscher, Christian H and Logsdail, Andrew J and Lu, Zhongwei and Luong, Felix and Marek, Andreas and Merz, Florian and Mianroodi, Jaber R and Neugebauer, Jörg and Pei, Zongrui and Purcell, Thomas A R and Raabe, Dierk and Rampp, Markus and Rossi, Mariana and Rost, Jan-Michael and Saal, James and Saalmann, Ulf and Sasidhar, Kasturi Narasimha and Saxena, Alaukik and Sbailò, Luigi and Scheidgen, Markus and Schloz, Marcel and Schmidt, Daniel F and Teshuva, Simon and Trunschke, Annette and Wei, Ye and Weikum, Gerhard and Xian, R Patrick and Yao, Yi and Yin, Junqi and Zhao, Meng and Scheffler, Matthias}, year={2024}, month=jul, pages={063301} }
