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Research Interests/Areas
Energetics, kinetics and dynamics involved in formation/growth/reaction of low-dimensional functional materials and the materials’ novel properties studied using computational and experimental approaches. The theoretical and computational approaches adopted include optimization algorithms, molecular dynamics simulations and Monte Carlo methods, based on multi-level theories ranging from molecular mechanics, semiempirical theories, to first-principles theories. Recent research focus is on nanoscience, including interactions of nanomaterials with chemical, biological, and medical systems, aiming at promoting the applications of nanostructured materials in energy-related and chemical, biological, medical, and environmental areas. Developments of related theories and methodologies.
Energetics, kinetics and dynamics involved in formation/growth/reaction of low-dimensional functional materials and the materials’ novel properties studied using computational and experimental approaches. The theoretical and computational approaches adopted include optimization algorithms, molecular dynamics simulations and Monte Carlo methods, based on multi-level theories ranging from molecular mechanics, semiempirical theories, to first-principles theories. Recent research focus is on nanoscience, including interactions of nanomaterials with chemical, biological, and medical systems, aiming at promoting the applications of nanostructured materials in energy-related and chemical, biological, medical, and environmental areas. Developments of related theories and methodologies.
Research Interests
Papers共 600 篇Author StatisticsCo-AuthorSimilar Experts
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Yifan Sui,Xiaohu Sun,Jie Guan, Zeqiu Chen, Xinjie Zhu,Xiaoyi Lou, Xiuli Li,Jiaowen Shen, Xiaomei Liu,Xiaojiao Zhang,Yaoguang Guo,Gangfeng Zhang,
RSC Advancesno. 21 (2024): 14784-14792
Qi Zhao,Yuewen Yang,Guanghui Xiong,Jianwei Chen,Tao Xu, Qunjie Xu,Ruiqin Zhang, Weifeng Yao,Hexing Li,Chun-Sing Lee
Journal of the American Chemical Society (2024)
International Journal of Hydrogen Energy (2024): 709-717
JOURNAL OF COMPUTATIONAL CHEMISTRYno. 8 (2024): 487-497
Ziqi Wei, Dewen Kong,Lijiao Quan,Jiarong He, Jingyuan Liu, Ziyuan Tang, Si Chen,Qinqin Cai,Ruiqin Zhang,Haijing Liu,Kang Xu,Lidan Xing,
Joule (2024)
Juncao Bian,Sifan Ling, Bei Deng, Haibin Lin,Ruo Zhao,Long Kong,Huimin Yuan, Jinlong Zhu,Songbai Han, Liping Wang,Rui-Qin Zhang,Yusheng Zhao,
Angewandte Chemie (International ed. in English)no. 28 (2024): e202400144-e202400144
AAPPS Bulletinno. 1 (2024): 1-11
ADVANCED ENERGY MATERIALSno. 2 (2023)
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