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个人简介
My research is focused on the structures and properties of materials.
My group develops, optimises and employs state-of-the-art materials software that is based on atomic and electronic levels of theory (either semi-empirical or ab initio).
Funded Projects include: SAINT (the develop of the web-based Surface and Interface Toolkit); WASP@N (development of the database and software for nanoclusters, aka. web assisted structure prediction at the nanoscale); and development and application of a new interatomic potential for sp-lone pair atoms.
My group develops, optimises and employs state-of-the-art materials software that is based on atomic and electronic levels of theory (either semi-empirical or ab initio).
Funded Projects include: SAINT (the develop of the web-based Surface and Interface Toolkit); WASP@N (development of the database and software for nanoclusters, aka. web assisted structure prediction at the nanoscale); and development and application of a new interatomic potential for sp-lone pair atoms.
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论文共 141 篇作者统计合作学者相似作者
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Philosophical transactions. Series A, Mathematical, physical, and engineering sciencesno. 2250 (2023): 20220252
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Pavel V. Stishenko,Thomas W. Keal,Scott M. Woodley,Volker Blum, Benjamin Hourahine,Reinhard J. Maurer,Andrew J. Logsdail
J. Open Source Softw.no. 86 (2023): 5186-5186
APL MATERIALSno. 8 (2023)
You Lu,Kakali Sen,Chin Yong,David S D Gunn,John A Purton,Jingcheng Guan,Alec Desmoutier,Jamal Abdul Nasir,Xingfan Zhang,Lei Zhu,Qing Hou, Joe Jackson-Masters,
Physical chemistry chemical physics : PCCPno. 33 (2023): 21816-21835
JOURNAL OF APPLIED PHYSICSno. 22 (2023)
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Frontiers of nanosciencepp.247-277, (2022)
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