Moment Tensor Potential for hydrogen diffusion in bcc metals
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资源简介：
A moment tensor potentials (MTPs) for hydrogen diffusion in bcc metals. MTP training sets are also included, which were calculated by active learning and DFT calculations.
For the information of MTP, read Ref. [1] ~ [3].
Ref. [1] https://dx.doi.org/10.2139/ssrn.4254267
Ref. [2] A. V. Shapeev, Multiscale Modeling and Simululation, 14, 1153 (2016).
Ref. [3] I. S. Novikov, K. Gubaev, E. V. Podryabinkin, A. V. Shapeev, Machine Learning: Science and Technology, 2 025002 (2020).
创建时间：
2023-01-25
