Development of a Machine Learning Potential to Study Structure and Thermodynamics of Nickel Nanoclusters
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资源简介：
Gaussian Approximation Potential (GAP) model files for Nickel (Ni) nanoclusters, along with a script for minimizing a Ni cluster using the LAMMPS package. The relevant dataset used for training, testing, and validation is also included.
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Zenodo创建时间：
2024-05-19
