Machine learning-assisted exploration of thermally conductive polymers based on high-throughput molecular dynamics simulations

Ma, R., Zhang, H., Xu, J., Hayashi, Y., Yoshida, R., Shiomi, J., Luo, T., Machine learning-assisted exploration of thermally conductive polymers based on high-throughput molecular dynamics simulations, arXiv preprint. arXiv:2109.02794v1 (2021). DOI: https://doi.org/10.48550/arXiv.2109.02794