Optimality guarantees for crystal structure prediction. - Vladimir V. Gusev; Duncan Adamson; Argyrios Deligkas; Dmytro Antypov; Christopher M. Collins 003; Piotr Krysta; Igor Potapov; George R. Darling; Matthew S. Dyer; Paul G. Spirakis; Matthew J. Rosseinsky (Nat., 2023)

MACS: Multi-Agent Reinforcement Learning for Optimization of Crystal Structures. - Elena Zamaraeva; Christopher M. Collins 003; George R. Darling; Matthew S. Dyer; Bei Peng; Rahul Savani; Dmytro Antypov; Vladimir V. Gusev; Judith Clymo; Paul G. Spirakis; Matthew J. Rosseinsky (CoRR, 2025)