Multi-fidelity Gaussian process based empirical potential development for Si:H nanowires

• 作 者: Moonseop Kim Huayi Yin Guang L
• 机 构: SchoolofMechanicalEngineering,SchoolofComputerandInformationEngineering,DepartmentofMathematics
• 出 处: 力学快报:英文版
• 发表日期: 2020年3期
• 关键词: Multi-fidelity Gaussian process regression Inter-atomic potential and forces ELA
• 基金项目: We gratefully acknowledge the support from the National Science Foundation of USA(Grants DMS-1555072 and DMS-1736364).

In material modeling,the calculation speed using the empirical potentials is fast compared to the first principle calculations,but the results are not as accurate as of the first principle calculations.First principle calculations are accurate but slow an