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Research Update: Towards designed functionalities in oxide-based electronic materials
3. This became particularly evident at two workshops focused on oxide electronics in 2014: The 21st International Workshop on Oxide Electronics held in Bolton Landing, New York, and the Advances in oxide materials: Preparation, properties, performance hosted by University of California, Santa Barbara, California, USA. Surely dozens or more related symposia have explored similar topics, but these meetings provided the impetus for the perspective which is by no means intended to be an exhaustive review of computational materials discovery approaches.
4.J. F. Nye, Physical Properties of Crystals: Their Representation by Tensors and Matrices (Oxford University Press, New York, NY, 1985).
11.J. D. Perkins, T. R. Paudel, A. Zakutayev, P. F. Ndione, P. A. Parilla, D. L. Young, S. Lany, D. S. Ginley, A. Zunger, N. H. Perry, Y. Tang, M. Grayson, T. O. Mason, J. S. Bettinger, Y. Shi, and M. F. Toney, Phys. Rev. B 84, 205207 (2011).
21.J. M. Rondinelli, N. A. Benedek, D. E. Freedman, A. Kavner, E. E. Rodriguez, E. S. Toberer, and L. W. Martin, Bull. Am. Ceram. Soc. 92, 14 (2013).
42.R. Gautier, X. Zhang, L. Hu, L. Yu, Y. Lin, T. O. L. Sunde, D. Chon, K. R. Poeppelmeier, and A. Zunger, Nat. Chem. 7, 308 (2015).
46.D. P. Shoemaker, Y.-J. Hu, D. Y. Chung, G. J. Halder, P. J. Chupas, L. Soderholm, J. F. Mitchell, and M. G. Kanatzidis, Proc. Natl. Acad. Sci. U. S. A. 111, 10922 (2014).
47.T. Lookman, in Mesoscopic Phenomena in Multifunctional Materials, Springer Series in Materials Science , edited byA. Saxena and A. Planes (Springer, Berlin, Heidelberg, 2014), Vol. 198, pp. 57–72;
48.T. Hey, S. Tansley, and K. M. Tolle, The Fourth Paradigm: Data-Intensive Scientific Discovery (Microsoft Research, Redmond, WA, 2009).
49.A. Jain, S. P. Ong, G. Hautier, W. Chen, W. D. Richards, S. Dacek, S. Cholia, D. Gunter, D. Skinner, G. Ceder, and K. A. Persson, APL Mater. 1, 011002 (2013).
50.B. Meredig, A. Agrawal, S. Kirklin, J. E. Saal, J. W. Doak, A. Thompson, K. Zhang, A. Choudhary, and C. Wolverton, Phys. Rev. B 89, 094104 (2014).
51. Some computational materials science repositories: AFLOW, AiiDA, Materials Project, NoMaD, and OQMD.
54. White House Office of Science and Technology Policy, Materials Genome Initiative for Global Competitiveness (2011).
62.A. Belianinov, R. Vasudevan, E. Strelcov, C. Steed, S. M. Yang, A. Tselev, S. Jesse, M. Biegalski, G. Shipman, C. Symons, A. Borisevich, R. Archibald, and S. V. Kalinin, Adv. Struct. Chem. Imaging 1, 6 (2015).
67.S. Tinkle, D. L. McDowell, A. Barnard, F. Gygi, and P. B. Littlewood, “Comment technology: Sharing data in materials science,” Nature 503, 463 (2013).
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One of the grand challenges facing materials-by-design approaches for complex oxide deployment in electronic devices is how to balance transformative first-principles based predictions with experimental feasibility. Here, we briefly review the functionality-driven approach (inverse design) for materials discovery, encapsulated in three modalities for materials discovery (m3D) that integrate experimental feedback. We compare it to both traditional theoretical and high-throughput database-directed approaches aimed at advancing oxide-based materials into technologies.
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