This perspective addresses the topic of harnessing the tools of Artificial Intelligence (AI) for boosting innovation in functional materials design and engineering as well as discovering new materials for targeted applications in biomedicine, composites, nanoelectronics or quantum technologies. It gives a current view of experts in the field, insisting on challenges and opportunities provided by the development of large materials databases, novel schemes for implementing AI into materials production and characterization as well as progress in the quest of simulating physical and chemical properties of realistic atomic models reaching the trillion atoms scale and with near ab initio accuracy.
Stephen G. Dale, N. Kazeev, Alastair J. A. Price, Víctor Posligua, Stephan Roche, O. Anatole von Lilienfeld, Konstantin ‘kostya’ Novoselov, Xavier Bresson, Gianmarco Mengaldo, Xudong Chen, T. Okane, Emily R. Lines, Matthew J. Allen, Amandine E. Debus, Clayton Miller, Jiayu Zhou, Hiroko H. Dodge, D. Rousseau, A. Ustyuzhanin, Zonghuan Yan, Mario Lanza, Fabio Sciarrino, Ryo Yoshida, Zhidong Leong, Teck Leong Tan, Qianxiao Li, Adil Kabylda, Igor Poltavsky, Alexandre Tkatchenko, Sherif Abdulkader Tawfik, P.S. Kamath, Theo Jaffrelot Inizan, Kristin A. Persson, Bryant Y. Li, Vir Karan, Chenru Duan, Haojun Jia, Qiyuan Zhao, Hiroyuki Hayashi, Atsuto Seko, Isao Tanaka, Omar M Yaghi, Tim Gould, Bun Chan, Stefan Vuckovic, T. S. Li, Min Lin, Zichao Tang, Yang Li, Yong Xu, Amrita Joshi, Xiaonan Wang, Leonard W. T. Ng, Sergei V. Kalinin, Mahshid Ahmadi, Jiyizhe Zhang, Shuyuan Zhang, Alexei A. Lapkin, Ming Xiao, Zhe Wu, Kedar Hippalgaonkar, Limsoon Wong, Lorenzo Bastonero, Nicola Marzari, Dorye Luis Esteras Cordoba, Andrei Tomut, Andreus Cristhian Linhares Andrade, Jose-Hugo Garcia
Paul Alivisatos, Paul F. Barbara, A. W. Castleman, Jack C. Chang, David A. Dixon, Michael L. Klein, George McLendon, Joel S. Miller, Mark A. Ratner, Peter J. Rossky, Samuel I. Stupp, Mark E. Thompson
Paul Alivisatos, Paul F. Barbara, A. W. Castleman, Jack Chang, David A. Dixon, Michael L. Klein, George McLendon, Joel S. Miller, Mark A. Ratner, Peter J. Rossky, Samuel I. Stupp, Mark E. Thompson
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