Roadmap on Data-Centric Materials Science
Abstract
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 (AI) and its subset Machine Learning (ML), 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.
Keywords
Cite
@article{arxiv.2402.10932,
title = {Roadmap on Data-Centric Materials Science},
author = {Stefan Bauer and Peter Benner and Tristan Bereau and Volker Blum and Mario Boley and Christian Carbogno and C. Richard A. Catlow and Gerhard Dehm and Sebastian Eibl and Ralph Ernstorfer and Ádám Fekete and Lucas Foppa and Peter Fratzl and Christoph Freysoldt and Baptiste Gault and Luca M. Ghiringhelli and Sajal K. Giri and Anton Gladyshev and Pawan Goyal and Jason Hattrick-Simpers and Lara Kabalan and Petr Karpov and Mohammad S. Khorrami and Christoph Koch and Sebastian Kokott and Thomas Kosch and Igor Kowalec and Kurt Kremer and Andreas Leitherer and Yue Li and Christian H. Liebscher and Andrew J. Logsdail and Zhongwei Lu and Felix Luong and Andreas Marek and Florian Merz and Jaber R. Mianroodi and Jörg Neugebauer and Zongrui Pei and Thomas A. R. Purcell and Dierk Raabe and Markus Rampp and Mariana Rossi and Jan-Michael Rost and James Saal and Ulf Saalmann and Kasturi Narasimha Sasidhar and Alaukik Saxena and Luigi Sbailò and Markus Scheidgen and Marcel Schloz and Daniel F. Schmidt and Simon Teshuva and Annette Trunschke and Ye Wei and Gerhard Weikum and R. Patrick Xian and Yi Yao and Junqi Yin and Meng Zhao and Matthias Scheffler},
journal= {arXiv preprint arXiv:2402.10932},
year = {2024}
}
Comments
Review, outlook, roadmap, perspective