11 citations · 11 across the 3 of their papers we have counts for
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cond-mat.mtrl-sci2026
Magnetic Structures Database from Symmetry-aided High-Throughput Calculations
Hanjing Zhou, Yuxuan Mu, Dingwen Zhang +7
Magnetic structures, which play a central role in determining their physical properties, are known for only very limited compounds. Traditional theoretical approaches to predicting…
cond-mat.mtrl-sci2024
Conjugate-dual clusters
Silei Wang, Jing Tian, Jiayu Li +5
Discovery of clusters with high symmetrical geometry, such as C60 fullerene, always attract lots of interest because of their diverse nature. However, most of such interesting clus…
cond-mat.mtrl-sci2023★ 11 cited
Global optimization in the discrete and variable-dimension conformational space: The case of crystal with the strongest atomic cohesion
Guanjian Cheng, Xin-Gao Gong, Wan-Jian Yin
We introduce a computational method to optimize target physical properties in the full configuration space regarding atomic composition, chemical stoichiometry, and crystal structu…