MLFF Trajectories
收藏DataCite Commons2025-11-05 更新2026-02-09 收录
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https://figshare.com/articles/dataset/MLFF_Trajectories/30487109
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资源简介：
Both files are trajectory files generated from molecular dynamics (MD) simulations using the density-based machine learning force field (DBMLFF), with the system composition specified in the file name. The detailed parameters are as follows:MOVEMENT_20LiFSI-24DME-60TTE.xyz：Simulated at 300 K with a duration of 0.7 ns, and the trajectory file has a frame interval of 50 fs;MOVEMENT_80EC-10LiPF6-60DMC.xyz：Simulated at 300 K with a duration of 2.5 ns, and the trajectory file has a frame interval of 50 fs.
提供机构：
figshare
创建时间：
2025-11-04
