43 citations · 44 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2023★ 1 cited
Structural disorder by octahedral tilting in inorganic halide perovskites: New insight with Bayesian optimization
Jingrui Li, Fang Pan, Guo-Xu Zhang +8
Structural disorder is common in metal-halide perovskites and important for understanding the functional properties of these materials. First-principles methods can address structu…
cond-mat.mtrl-sci2012★ 43 cited
Electrodynamic Response and Stability of Molecular Crystals
Bohdan Schatschneider, Jian-Jie Liang, Anthony M. Reilly +3
We show that electrodynamic dipolar interactions, responsible for long-range fluctuations in matter, play a significant role in the stability of molecular crystals. Density functio…