Supporting Data for "Machine Learning-Accelerated Path Integral Molecular Dynamics and 13C NMR Simulations Unlock New Insights Into Quantum Effects in C60 Fullerene"
收藏DataCite Commons2025-11-06 更新2026-05-04 收录
下载链接：
https://etsin.fairdata.fi/dataset/30968cae-920a-48b2-8242-e20375ce1e07
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资源简介：
This repository includes (i) datasets used to train NEP and SchNet, (ii) the MLIPs and NMR-ML model files, (iii) dataset for the NMR-ML predictions, and (iv) datasets for all figures in the manuscript and supplementary materials.
提供机构：
Ossi Laurila
创建时间：
2025-11-04
