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Active-learning search for unitcell structures: A case study on Mg3Bi2-xSbx
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 226, 页码: 112260
作者:
Peng Q(彭庆)
;
Yuan XZ(袁晓泽)
;
Zhao S(赵帅)
;
Zhou, Yuwei
;
Wen, Xiaodong
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2023/07/17
Crystal structure prediction
First -principles calculations
Mg-Bi-Sb alloy
Active learning strategy
Unitcell modeling
Structure elucidation and in vitro rat intestinal fermentation properties of a novel sulfated glucogalactan from Porphyra haitanensis
期刊论文
FOOD SCIENCE AND HUMAN WELLNESS, 2023, 卷号: 12, 期号: 2, 页码: 596-606
作者:
Chen, Peilin
;
Liu, Lu
;
Cheng, Zirun
;
Zhang, Yi
;
Zheng, Baodong
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2022/11/07
Porphyra haitanensis
Structure characterization
Fecal microflora
Short-chain fatty acids
Metabolic function prediction
Polysaccharide
Structure elucidation and in vitro rat intestinal fermentation properties of a novel sulfated glucogalactan from Porphyra haitanensis
期刊论文
FOOD SCIENCE AND HUMAN WELLNESS, 2023, 卷号: 12, 期号: 2, 页码: 596-606
作者:
Chen, Peilin
;
Liu, Lu
;
Cheng, Zirun
;
Zhang, Yi
;
Zheng, Baodong
收藏
  |  
浏览/下载:39/0
  |  
提交时间:2022/11/07
Porphyra haitanensis
Structure characterization
Fecal microflora
Short-chain fatty acids
Metabolic function prediction
Polysaccharide
Chloride diffusion behavior and microstructure of basalt-polypropylene hybrid fiber reinforced concrete in salt spray environment
期刊论文
Construction and Building Materials, 2022, 卷号: 324
作者:
Su, Li
;
Niu, Ditao
;
Huang, Daguan
;
Luo, Yang
;
Qiao, Hongxia
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  |  
浏览/下载:23/0
  |  
提交时间:2022/04/21
Chlorine compounds
Corrosion resistance
Diffusion
Erosion
Fibers
Polypropylenes
Pore structure
Reinforced concrete
Scanning electron microscopy
Basalt fiber
Basalt-polypropylene hybrid fiber reinforced concrete
Chloride concentrations
Chloride diffusion
Chloride diffusion coefficient
Chloride diffusion coefficient prediction model
Hybrid fiber-reinforced concrete
Prediction modelling
Salt spray
Salt-spray environment
Vacancy ordered phases of nonstoichiometric hafnium carbide from evolutionary crystal structure predictions
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2022, 卷号: 891
作者:
Kostenko, Maxim G.
;
Li, Jingyu
;
Zeng, Zhi
;
Zhang, Yongsheng
;
Sharf, Sergey V.
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  |  
浏览/下载:113/0
  |  
提交时间:2021/11/15
Hafnium carbide
Nonstoichiometry
Vacancies
Ordering
Crystal structure prediction
Superstructures
Mechanical properties
First-principles calculations
Toward the Rational Design of Mid-Infrared Nonlinear Optical Materials with Targeted Properties via a Multi-Level Data-Driven Approach
期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2022, 卷号: 32, 期号: 23, 页码: 1-9
作者:
Cai, WB (Cai, Wenbing) [1]
;
Abudurusuli, A (Abudurusuli, Ailijiang) [1] , [2]
;
Xie, CW (Xie, Congwei) [1]
;
Tikhonov, E (Tikhonov, Evgenii) [1]
;
Li, JJ (Li, Junjie) [1] , [2]
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  |  
浏览/下载:34/0
  |  
提交时间:2022/06/21
crystal structure prediction
high-throughput computation and screening
machine learning
nonlinear optical material
second harmonic generation response
Prediction of Changeable Eddy Structures around Luzon Strait Using an Artificial Neural Network Model
期刊论文
REMOTE SENSING, 2022, 卷号: 14, 期号: 2, 页码: 23
作者:
Kong, Yuan
;
Zhang, Lu
;
Sun, Yanhua
;
Liu, Ze
;
Guo, Yunxia
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2022/04/12
eddy structure
ANN
prediction
Luzon Strait
A hybrid framework for improving uncertainty quantification in deep learning-based QSAR regression modeling
期刊论文
JOURNAL OF CHEMINFORMATICS, 2021, 卷号: 13, 期号: 1, 页码: 17
作者:
Wang, Dingyan
;
Yu, Jie
;
Chen, Lifan
;
Li, Xutong
;
Jiang, Hualiang
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  |  
浏览/下载:62/0
  |  
提交时间:2021/11/04
Uncertainty quantification
Quantitative structure-activity relationship
Bayesian neural network
Applicability domain
Bayesian inference
Error prediction
Artificial intelligence
FALCON2: a web server for high-quality prediction of protein tertiary structures
期刊论文
BMC BIOINFORMATICS, 2021, 卷号: 22, 期号: 1, 页码: 14
作者:
Kong, Lupeng
;
Ju, Fusong
;
Zhang, Haicang
;
Sun, Shiwei
;
Bu, Dongbo
收藏
  |  
浏览/下载:48/0
  |  
提交时间:2021/12/01
Protein structure prediction
Template-based modeling
Ab initio prediction
Protein structure prediction web service
Predicting the components and types of kerogen in shale by combining machine learning with NMR spectra
期刊论文
FUEL, 2021, 卷号: 290, 页码: 10
作者:
Kang DL(康东亮)
;
Wang XH(王晓荷)
;
Zheng XJ(郑晓娇)
;
Zhao YP(赵亚溥)
收藏
  |  
浏览/下载:40/0
  |  
提交时间:2021/03/30
Machine learning
Kerogen and shale
Molecular structure
High-throughput prediction
NMR spectra datasets
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