Additional Supplementary Materials
收藏NIAID Data Ecosystem2026-05-02 收录
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资源简介：
Supplementary folder includes the ammonia ACE interatomic potential (NH3_pot.yace), AI-MD-calculated equation of state data for solid and liquid ammonia (NH3_dft_eos.txt), the final DFT training database used to develop the potential (NH_structures-training_DB.pckl.gzip), and an example LAMMPS input file for NVT simulations (in.nvt+NH_pot.mod).
创建时间：
2025-04-11
