1 code implementation • 11 Mar 2024 • Nima Karimitari, William J. Baldwin, Evan W. Muller, Zachary J. L. Bare, W. Joshua Kennedy, Gábor Csányi, Christopher Sutton
Our model is then combined with a simple random structure search algorithm to predict the structure of hypothetical HOIPs given only the proposed composition.
no code implementations • 21 Jun 2023 • R. Patrick Xian, Ryan J. Morelock, Ido Hadar, Charles B. Musgrave, Christopher Sutton
Networks of atom-centered coordination octahedra commonly occur in inorganic and hybrid solid-state materials.
1 code implementation • 23 Jan 2018 • Christopher J. Bartel, Christopher Sutton, Bryan R. Goldsmith, Runhai Ouyang, Charles B. Musgrave, Luca M. Ghiringhelli, Matthias Scheffler
Predicting the stability of the perovskite structure remains a longstanding challenge for the discovery of new functional materials for photovoltaics, fuel cells, and many other applications.
Materials Science
