Roadmap on electronic structure codes in the exascale era

Vikram Gavini(University of Modena and Reggio Emilia), Danny Pérez(Los Alamos National Laboratory), Laura E. Ratcliff(University of Bristol), Alexander Buccheri(Humboldt-Universität zu Berlin), Stefano Baroni(Scuola Internazionale Superiore di Studi Avanzati), Ole Schütt, Marco Govoni(University of Modena and Reggio Emilia), Paolo Giannozzi(University of Udine), Robert R. Schade(University of Pittsburgh), Pietro Delugas(Scuola Internazionale Superiore di Studi Avanzati), Christian Plessl(Paderborn University), Marc Torrent(Commissariat à l'Énergie Atomique et aux Énergies Alternatives), Ryan M. Richard(Ames National Laboratory), Luigi Genovese(Commissariat à l'Énergie Atomique et aux Énergies Alternatives), Kai‐Hsin Liou(The University of Texas at Austin), Volker Blüm(Duke University), John E. Pask(Lawrence Livermore National Laboratory), John M. Herbert(The Ohio State University), Phani Motamarri, Claudia Draxl(Fritz Haber Institute of the Max Planck Society), Giulia Galli(Argonne National Laboratory), François Gygi(University of California, Davis), Ayako Nakata(National Institute for Materials Science), Sambit Das(University of Michigan), David R. Bowler(National Institute for Materials Science), Matthias Scheffler(Fritz Haber Institute of the Max Planck Society), Matteo Giantomassi(UCLouvain), Xavier Gonze(European Theoretical Spectroscopy Facility), James R. Chelikowsky(The University of Texas at Austin), Tsuyoshi Miyazaki(National Institute for Materials Science), Thomas D. Kühne(Paderborn University), Andris Guļāns(Fritz Haber Institute of the Max Planck Society), Theresa L. Windus(Iowa State University), Lionel A. Truflandier(Institut des Sciences Moléculaires), William Harbutt Dawson(RIKEN Center for Computational Science), Qimen Xu(Georgia Institute of Technology), Phanish Suryanarayana(Georgia Institute of Technology), Mariana Rossi(Fritz Haber Institute of the Max Planck Society), Sebastian Kokott(Humboldt-Universität zu Berlin), Victor Yu(Argonne National Laboratory), Mehmet Dogan(The University of Texas at Austin)
Modelling and Simulation in Materials Science and Engineering
August 7, 2023
Cited by 72


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