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Knowledge Management System of Institue of Mechanics, CAS
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Gao YQ [1]
Huang YP [1]
Xia YJ [1]
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韦佳辰 [1]
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Date Issued：2022
Funding Organization：CAAI-Huawei MindSpore Open Fund
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SPONGE: A GPU-Accelerated Molecular Dynamics Package with Enhanced Sampling and AI-Driven Algorithms
期刊论文
CHINESE JOURNAL OF CHEMISTRY, 2022, 卷号: 40, 期号: 1, 页码: 160-168
Authors:
Huang YP
;
Xia YJ
;
Yang LJ
;
Wei JC(韦佳辰)
;
Yang YI
;
Gao YQ
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Submit date：2022/01/13
Molecular dynamics
Molecular modeling
Enhanced sampling
Machine learning
Computational chemistry
