Author(s): Yu Xin, Peng Liu, Zhuohang Xie, Wenhui Mi, Pengyue Gao, Hong Jian Zhao, Jian Lv, Yanchao Wang, and Yanming Ma Even though thermodynamic stability-oriented crystal structure prediction (CSP) has revolutionized materials discovery, the energy-driven CSP approaches often struggle to identify experimentally realizable metastable materials synthesized through kinetically controlled pathways, creating a critical … [Phys. Rev. B 113, 054102] Published Tue Feb 03, 2026