【論文】SPACIER: on-demand polymer design with fully automated all-atom classical molecular dynamics integrated into machine learning pipelines
Nanjo, S., Arifin, Maeda, H., Hayashi, Y., Hatakeyama-Sato, K., Himeno, R., Hayakawa, T., Yoshida, R., SPACIER: on-demand polymer design with fully automated all-atom classical molecular dynamics integrated into machine learning pipelines. npj Computational Materials 11: 16 (2025). DOI: 10.1038/s41524-024-01492-3