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cond-mat.mtrl-sci2022
Electronic topological transition of 2D boron by the ion exchange reaction
Xiaoni Zhang, Yuki Tsujikawa, Ikuma Tateishi +8
We systematically investigated electronic evolutions of non-symmorphic borophene with chemical environments that were realized by the ion exchange method. Electronic structures can…
cond-mat.mtrl-sci2020
Phase stability of Au-Li binary systems studied using neural network potential
Koji Shimizu, Elvis F. Arguelles, Wenwen Li +3
The miscibility of Au and Li exhibits a potential application as an adhesion layer and electrode material in secondary batteries. Here, to explore alloying properties, we construct…
cond-mat.mtrl-sci2018
Construction of accurate machine learning force fields for copper and silicon dioxide
Wenwen Li, Yasunobu Ando
Recently, the machine learning force field has emerged as a powerful atomic simulation approach for its high accuracy and low computational cost. However, its applications in the m…