Papers citing Metastable materials discovery in the age of large-scale computation
Physical trends and design principles in aliovalent double half-Heusler thermoelectrics from high-throughput computational screening
Physical review. B./Physical review. B · 2026-08-20
Anonymous, V. V. Sokolovskiy, Sergey V. Taskaev
Read original paper ↗ ·An Investigation into the Kinetic Persistence of TiO2 Polymorphs Using Machine-Learning-Driven Pathfinding in Crystal Configuration Space
Journal of Chemical Theory and Computation · 2026-08-31
Max C. Gallant, David Mrdjenovich, Kristin Aslaug Persson
Read original paper ↗ ·Machine Learning of Band Gaps and Thermodynamic Stability in A2BB′X6 (X = F, Cl, Br, I) Double Perovskites with Uncertainty-Aware Multi-Objective Screening
Nanomaterials · 2026-09-26
Qilin Wei, Haiyan Zhang, Chengyu Peng, Ye Tian, Yan Zhang, Yongmeng Yang, Menghong Liu, Nianxi Xu
Read original paper ↗ ·