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Volume 3 / No 2 (2024)

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Volume 3 / No 2 (2024)

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Special Topic: AI for Chemistry

Open Access

REVIEW

Transforming organic chemistry research paradigms: Moving from manual efforts to the intersection of automation and artificial intelligence 20230037

Chengchun Liu, Yuntian Chen and Fanyang Mo

Published online: 02 November 2023

DOI: https://doi.org/10.1360/nso/20230037

Open Access

REVIEW

Artificial intelligence for the understanding of electrolyte chemistry and electrode interface in lithium battery 20230039

Yawei Chen, Yue Liu, Zixu He, Liang Xu, Peiping Yu, Qintao Sun, Wanxia Li, Yulin Jie, Ruiguo Cao, Tao Cheng and Shuhong Jiao

Published online: 19 December 2023

DOI: https://doi.org/10.1360/nso/20230039

Open Access

RESEARCH ARTICLE

Semantic knowledge graph as a companion for catalyst recommendation 20230040

Zhiying Zhang, Shengming Ma, Shisheng Zheng, Zhiwei Nie, Bingxu Wang, Kai Lei, Shunning Li and Feng Pan

Published online: 06 February 2024

DOI: https://doi.org/10.1360/nso/20230040

Open Access

RESEARCH ARTICLE

MBenes-supported single-atom catalysts for oxygen reduction and oxygen evolution reactions by first-principles study and machine learning 20230043

Erpeng Wang, Guanjie Wang, Jian Zhou and Zhimei Sun

Published online: 01 February 2024

DOI: https://doi.org/10.1360/nso/20230043

Open Access

RESEARCH ARTICLE

A machine-learning-enabled approach for bridging multiscale simulations of CNTs/PDMS composites 20230055

Lingjie Yu, Chao Zhi, Zhiyuan Sun, Hao Guo, Jianglong Chen, Hanrui Dong, Mengqiu Zhu and Xiaonan Wang

Published online: 01 February 2024

DOI: https://doi.org/10.1360/nso/20230055

Open Access

RESEARCH ARTICLE

Synergistic application of molecular docking and machine learning for improved binding pose 20230058

Yaqi Li, Hongrui Lin, He Yang, Yannan Yuan, Rongfeng Zou, Gengmo Zhou, Linfeng Zhang and Hang Zheng

Published online: 08 March 2024

DOI: https://doi.org/10.1360/nso/20230058

Open Access

RESEARCH ARTICLE

Constructing machine learning potential for metal nanoparticles of varying sizes via basin-hoping Monte Carlo and active learning 20230088

Fu-Qiang Gong, Ke Xiong and Jun Cheng

Published online: 20 March 2024

DOI: https://doi.org/10.1360/nso/20230088

Open Access

GUEST EDITORIAL

Artificial intelligence is empowering chemistry research 20240008

Shanshan Wang and Jin Zhang

Published online: 20 March 2024

DOI: https://doi.org/10.1360/nso/20240008

Earth and Environmental Sciences

Open Access

RESEARCH ARTICLE

Future climate change decreases multi-pathway but increases respiratory human health risks of PAHs across China 20230010

Jiaao Bao, Xinghui Xia, Ying Zhu, Bingxiang Zhao, Erxue Gu, Yanan Liu, Xiao Yun, Zhenrui Zhang, Nannan Xi, Yong Geng et al. (3 more)

Published online: 07 July 2023

DOI: https://doi.org/10.1360/nso/20230010