遇见数据集

Research data supporting “Routes To Cubic Ice Through Heterogeneous Nucleation”

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DataCite Commons2024-12-13 更新2024-08-25 收录
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资源简介:

See README file for a detailed description of this dataset. It contains all input files to generate the trajectories, along with all data and code to generate the figures, and analysis code for the water contact-layer and substrate similarity calculations. There are six subdirectories: 1) structures: Database of systems simulated 2) lammps: LAMMPS input files for simulations 3) sw: stillinger-weber files for LAMMPS simulations 4) displace: Database of systems simulated for “robustness” test under random displacement 5) xy_analysis: code for two-dimensional structure and similarity calculations 6) data_and_plotting: data and code to recreate plots in the paper

创建时间:
2021-02-24
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