Garnet Kin-Lic

Oct 17, 2024 | dx.doi.org | Manas Sharma |Marek Sierka |Garnet Kin-Lic

1. IntroductionClick to copy section linkSection link copied!Accurate predictions of the optical properties of ionic solids are a critical challenge in computational materials science due to the importance of these materials in electronic and optoelectronic applications. Density functional theory (DFT) is popularly used for studying the ground-state properties of materials, owing to its balance of accuracy and computational efficiency.

Apr 30, 2023 | paperity.org | Garnet Kin-Lic

Nature Communications, Apr 2023 This is a preview of a remote PDF: https://www.nature.com/articles/s41467-023-37587-6.pdf Lee, Seunghoon, Lee, Joonho, Zhai, Huanchen, Tong, Yu, Dalzell, Alexander M., Kumar, Ashutosh, Helms, Phillip, Gray, Johnnie, Cui, Zhi-Hao, Liu, Wenyuan, Kastoryano, Michael, Babbush, Ryan, Preskill, John, Reichman, David R., Campbell, Earl T., Valeev, Edward F., Lin, Lin, Chan, Garnet Kin-Lic.