scholarly journals Improving the accuracy of density-functional theory calculation: The genetic algorithm and neural network approach

2007 ◽  
Vol 126 (14) ◽  
pp. 144101 ◽  
Author(s):  
Hui Li ◽  
LiLi Shi ◽  
Min Zhang ◽  
Zhongmin Su ◽  
XiuJun Wang ◽  
...  
Keyword(s):  
Neural Network ◽  
Genetic Algorithm ◽  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Calculation ◽  
Network Approach ◽  
Neural Network Approach ◽  
Functional Theory ◽  
Theory Calculation

Ordered boron phosphorus codoped graphene realizing widely tunable quasi Dirac-cone gap

2021 ◽  
Vol 9 (12) ◽  
pp. 4316-4321
Author(s):  
L.-B. Meng ◽  
S. Ni ◽  
Z. M. Zhang ◽  
S. K. He ◽  
W. M. Zhou
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Calculation ◽  
Dirac Cone ◽  
Functional Theory ◽  
Theory Calculation

Density functional theory calculation predicts a novel ordered boron phosphorus codoped graphene realizing a widely tunable Dirac-cone gap.

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