{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,19]],"date-time":"2026-01-19T09:49:42Z","timestamp":1768816182317,"version":"3.49.0"},"publisher-location":"California","reference-count":0,"publisher":"International Joint Conferences on Artificial Intelligence Organization","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2023,8]]},"abstract":"<jats:p>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 what extent, or in what way, we can develop generative models that consider both the periodicity and equivalence geometric of crystal structures. To alleviate this issue, we propose two unified models that act at the same time on crystal lattice and atomic positions using periodic equivariant architectures. Our models are capable to learn any arbitrary crystal lattice deformation by lowering the total energy to reach thermodynamic stability. Code and data are available at https:\/\/github.com\/aklipf\/GemsNet.<\/jats:p>","DOI":"10.24963\/ijcai.2023\/669","type":"proceedings-article","created":{"date-parts":[[2023,8,11]],"date-time":"2023-08-11T04:31:30Z","timestamp":1691728290000},"page":"6031-6039","source":"Crossref","is-referenced-by-count":2,"title":["Unified Model for Crystalline Material Generation"],"prefix":"10.24963","author":[{"given":"Astrid","family":"Klipfel","sequence":"first","affiliation":[{"name":"Univ. Artois, UMR 8188, Centre de Recherche en Informatique de Lens (CRIL), F-62300 Lens, France"},{"name":"Univ. Artois, UMR 8181, Unit\u00e9 de Catalyse et de Chimie du Solide (UCCS), F-62300 Lens, France"},{"name":"Univ. Artois, UR 2462, Laboratoire de Math\u00e9matiques de Lens (LML), F-62300 Lens, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ya\u00ebl","family":"Fr\u00e9gier","sequence":"additional","affiliation":[{"name":"Univ. Artois, UR 2462, Laboratoire de Math\u00e9matiques de Lens (LML), F-62300 Lens, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Adlane","family":"Sayede","sequence":"additional","affiliation":[{"name":"Univ. Artois, UMR 8181, Unit\u00e9 de Catalyse et de Chimie du Solide (UCCS), F-62300 Lens, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Zied","family":"Bouraoui","sequence":"additional","affiliation":[{"name":"Univ. Artois, UMR 8188, Centre de Recherche en Informatique de Lens (CRIL), F-62300 Lens, France"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"10584","event":{"name":"Thirty-Second International Joint Conference on Artificial Intelligence {IJCAI-23}","theme":"Artificial Intelligence","location":"Macau, SAR China","acronym":"IJCAI-2023","number":"32","sponsor":["International Joint Conferences on Artificial Intelligence Organization (IJCAI)"],"start":{"date-parts":[[2023,8,19]]},"end":{"date-parts":[[2023,8,25]]}},"container-title":["Proceedings of the Thirty-Second International Joint Conference on Artificial Intelligence"],"original-title":[],"deposited":{"date-parts":[[2023,8,11]],"date-time":"2023-08-11T04:53:32Z","timestamp":1691729612000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.ijcai.org\/proceedings\/2023\/669"}},"subtitle":[],"proceedings-subject":"Artificial Intelligence Research Articles","short-title":[],"issued":{"date-parts":[[2023,8]]},"references-count":0,"URL":"https:\/\/doi.org\/10.24963\/ijcai.2023\/669","relation":{},"subject":[],"published":{"date-parts":[[2023,8]]}}}