DP model for single-layer InSe system.
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model.pb, DP model trained for FPGA, which is suitable for nvnmd simulation -
set-train, dataset for single-layer InSe sytem -
nvnmd-train, input script to train DP model for fpga (nvnmd) -
dp-train, input script to train a common DP model for cpu (traditional dpmd)
please cite following article (https://doi.org/10.3390/nano13091576)
J. Han, Q. Zeng, K. Chen, X. Yu, J. Dai, Lattice thermal conductivity of monolayer InSe calculated by machine learning potential, Nanomaterials 2023, 13, 1576.