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Ab initio molecular dynamics simulation of the structural and electronic properties of aluminoborosilicate glass
Ab initio molecular dynamics simulation of the structural and electronic properties of aluminoborosilicate glass
2021
Gong Haiming
Bin Song
Yang Yuting
Peixian Wang
Zhiqiang Cao
Xiaojie Chen
Gaoling Zhao
Shou Peng
Yong Liu
Gaorong Han
Keywords:
Density functional theory
Molecular dynamics
ab initio molecular dynamics
Chemical physics
Materials science
electronic properties
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