Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Klipfel, Astrid"'
Discovering crystal structures with specific chemical properties has become an increasingly important focus in material science. However, current models are limited in their ability to generate new crystal lattices, as they only consider atomic posit
Externí odkaz:
http://arxiv.org/abs/2401.05402
Graph neural networks are widely used in machine learning applied to chemistry, and in particular for material science discovery. For crystalline materials, however, generating graph-based representation from geometrical information for neural networ
Externí odkaz:
http://arxiv.org/abs/2307.05380
One of the greatest challenges facing our society is the discovery of new innovative crystal materials with specific properties. Recently, the problem of generating crystal materials has received increasing attention, however, it remains unclear to w
Externí odkaz:
http://arxiv.org/abs/2306.04510
Autor:
Klipfel, Astrid, Peltre, Olivier, Harrati, Najwa, Fregier, Yaël, Sayede, Adlane, Bouraoui, Zied
Automatic material discovery with desired properties is a fundamental challenge for material sciences. Considerable attention has recently been devoted to generating stable crystal structures. While existing work has shown impressive success on super
Externí odkaz:
http://arxiv.org/abs/2302.00485
Publikováno v:
Matériaux 2022
Matériaux 2022, Oct 2022, Lille, France
Matériaux 2022, Oct 2022, Lille, France
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______4254::b2b736f493345e27be05160598a23b13
https://hal-univ-artois.archives-ouvertes.fr/hal-04037730
https://hal-univ-artois.archives-ouvertes.fr/hal-04037730
Publikováno v:
31st International Joint Conference on Artificial Intelligence and the 25th European Conference on Artificial Intelligence {(IJCAI} 2022, {ECAI} 2022)
31st International Joint Conference on Artificial Intelligence and the 25th European Conference on Artificial Intelligence {(IJCAI} 2022, {ECAI} 2022), Jul 2022, Vienna, Austria
3190, eds. Sioutis, M., Long, Z., Stell, J. G. & Renz, J, 2022
31st International Joint Conference on Artificial Intelligence and the 25th European Conference on Artificial Intelligence {(IJCAI} 2022, {ECAI} 2022), Jul 2022, Vienna, Austria
3190, eds. Sioutis, M., Long, Z., Stell, J. G. & Renz, J, 2022
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::eaefaf980106ac1656fb664ea082e7fc
https://hal-univ-artois.archives-ouvertes.fr/hal-04037800
https://hal-univ-artois.archives-ouvertes.fr/hal-04037800