Exploring thermal expansion of carbon-based nanosheets by machine-learning interatomic potentials
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资源简介：
Dara for manuscript entitled: "Exploring thermal expansion of carbon-based nanosheets by machine-learning interatomic potentials"
"MTPs.zip" include fitted MTP potentials in this manuscript.
"Examples.zip" include three examples of developed input files for LAMMPS simulations of thermal expansion.
For the details of MTPs training refer to dataset in our previous publications:
Advanced Materials 33 (35), 2102807 https://doi.org/10.1002/adma.202102807
创建时间：
2021-10-13
