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Scientific Data|July 11, 2024
Second-harmonic generation tensors from high-throughput density-functional perturbation theoryVictor Trinquet, Francesco Naccarato, Guillaume Brunin, et al.Faraday Discussions|September 19, 2024
Optical materials discovery and design with federated databases and machine learningVictor Trinquet, Matthew L Evans, Cameron J Hargreaves, et al.Advanced Materials (Deerfield Beach, Fla.)|November 13, 2024
Colossal Strain Tuning of Ferroelectric Transitions in KNbO<sub>3</sub> Thin FilmsSankalpa Hazra, Tobias Schwaigert, Aiden Ross, et al.Digital Discovery|July 4, 2025
Atomate2: modular workflows for materials scienceAlex M Ganose, Hrushikesh Sahasrabuddhe, Mark Asta, et al.Digital Discovery|August 21, 2025
Correction: Atomate2: modular workflows for materials scienceAlex M Ganose, Hrushikesh Sahasrabuddhe, Mark Asta, et al.The Journal of Chemical Physics|October 29, 2025
Abinit 2025: New capabilities for the predictive modeling of solids and nanomaterialsMatthieu J Verstraete, Joao Abreu, Guillaume E Allemand, et al.Pageof 1