Session Details

Calculation

Wed. Oct 28, 2026 9:10 AM - 10:00 AM JST
Wed. Oct 28, 2026 12:10 AM - 1:00 AM UTC
Room C(Meeting Room 4-A+4-B)
Chair:Maelie Causse(University of Cambridge)

[In39]Diffusion Model with Adaptive Constraint Guidance for Metal Hydride Generation

Auguste De Lambilly1,2, Vladimir Baturin1, Arsen Sultanov1,3, *Jean-Claude Crivello1, Guillaume Lambard4, David Portehault5, Tabea Rebafka6, Florence d'Alché-Buc2, Nataliya Sokolovska7 (1. LINK, CNRS-Saint-Gobain-NIMS, IRL3629, Tsukuba (Japan), 2. LTCI, Télécom Paris, Institut Polytechnique de Paris, France, 3 CNRS, Observatoire de Paris, Sorbonne Université, Paris (France), 3. CNRS, Observatoire de Paris, Sorbonne Université, Paris (France), 4. Data-driven Materials Design group, Center for Basic Research on Materials (CBRM), National Institute for Materials Science (NIMS), Tsukuba, 305-0044, Ibaraki (Japan), 5. Sorbonne University, CNRS, CMCP, Paris (France), 6. MIA, AgroParisTech, INRAE, Université Paris Saclay (France), 7. LCQB, UMR 7238 CNRS, Sorbonne Université, Paris (France))

[In40]Quantum Molecular Dynamics of Hydrogen in Materials

*Motoyuki Shiga1 (1. Japan Atomic Energy Agency (Japan))