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Workshop
WyckoffTransformer: Generation of Symmetric Crystals
Nikita Kazeev · Ruiming Zhu · Romanov Ignat · Andrey Ustyuzhanin · Shuya Yamazaki · Wei Nong · Kedar Hippalgaonkar
Workshop
Sat 16:27 dZiner: Rational Inverse Design of Materials with AI Agents
Mehrad Ansari · Jeffrey Watchorn · Carla Brown · Joseph Brown
Workshop
dZiner: Rational Inverse Design of Materials with AI Agents
Mehrad Ansari · Jeffrey Watchorn · Joseph Brown · Carla Brown
Workshop
Deterministic global optimization for sample-efficient molecular design with generative machine learning
Jan Rittig · Malte Franke · Alexander Mitsos
Workshop
Sat 8:15 AI4Mat-2024: NeurIPS 2024 Workshop on AI for Accelerated Materials Design
Santiago Miret · N M Anoop Krishnan · Marta Skreta · Stefano Martiniani · Geemi Wellawatte · George Karypis