المؤلفون: Arsen Sultanov, Jean-Claude Crivello, Tabea Rebafka, Nataliya Sokolovska

مصطلحات موضوعية: Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, yielding computational advantages, two denoising processes, shown excellent performance, respects symmetry constraints, presented approach resides, big challenge due, annealed langevin dynamics, specified chemical composition, chosen chemical system, multigraph crystal representation, adaptive crystal cells, new chemical structure, generating stable structures, crystal group without, new crystal structures, chemical stability, sampled structures, new functional, stable materials, space group, crystal cell, various applications, proposed method, periodic nature, desired properties, better quality, based models

Relation: https://figshare.com/articles/journal_contribution/Data-Driven_Score-Based_Models_for_Generating_Stable_Structures_with_Adaptive_Crystal_Cells/24542531

الاتاحة: https://doi.org/10.1021/acs.jcim.3c00969.s001
https://figshare.com/articles/journal_contribution/Data-Driven_Score-Based_Models_for_Generating_Stable_Structures_with_Adaptive_Crystal_Cells/24542531