Graph neural networks for materials science and chemistry.

Reiser, Patrick; Neubert, Marlen; Eberhard, André; Torresi, Luca; Zhou, Chen; Shao, Chen; Metni, Houssam; van Hoesel, Clint; Schopmans, Henrik; Sommer, Timo; Friederich, Pascal

Reiser, Patrick; Neubert, Marlen; Eberhard, André; Torresi, Luca; Zhou, Chen; Shao, Chen; Metni, Houssam; van Hoesel, Clint; Schopmans, Henrik; Sommer, Timo; Friederich, Pascal.

Afiliação

Reiser P; Institute of Theoretical Informatics, Karlsruhe Institute of Technology, Am Fasanengarten 5, 76131 Karlsruhe, Germany.
Neubert M; Institute of Nanotechnology, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany.
Eberhard A; Institute of Theoretical Informatics, Karlsruhe Institute of Technology, Am Fasanengarten 5, 76131 Karlsruhe, Germany.
Torresi L; Institute of Theoretical Informatics, Karlsruhe Institute of Technology, Am Fasanengarten 5, 76131 Karlsruhe, Germany.
Zhou C; Institute of Theoretical Informatics, Karlsruhe Institute of Technology, Am Fasanengarten 5, 76131 Karlsruhe, Germany.
Shao C; Institute of Theoretical Informatics, Karlsruhe Institute of Technology, Am Fasanengarten 5, 76131 Karlsruhe, Germany.
Metni H; Institute of Theoretical Informatics, Karlsruhe Institute of Technology, Am Fasanengarten 5, 76131 Karlsruhe, Germany.
van Hoesel C; Present Address: Institute for Applied Informatics and Formal Description Systems, Karlsruhe Institute of Technology, Kaiserstr. 89, 76133 Karlsruhe, Germany.
Schopmans H; Institute of Theoretical Informatics, Karlsruhe Institute of Technology, Am Fasanengarten 5, 76131 Karlsruhe, Germany.
Sommer T; ECPM, Université de Strasbourg, 25 Rue Becquerel, 67087 Strasbourg, France.
Friederich P; Institute of Theoretical Informatics, Karlsruhe Institute of Technology, Am Fasanengarten 5, 76131 Karlsruhe, Germany.