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Equivariance is essential, local representation is a need: A comprehensive and critical study of machine learning potentials for tobermorite phases 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2025, 卷号: 246, 页码: 14
作者:  Zhu, Keming;  Zhang, Zhibin
收藏  |  浏览/下载：23/0  |  提交时间：2024/12/06
Machine learning potential  Tobermorite  Density functional theory  Molecular dynamics  
DPA-2: a large atomic model as a multi-task learner 期刊论文
NPJ COMPUTATIONAL MATERIALS, 2024, 卷号: 10, 期号: 1, 页码: 15
作者:  Zhang, Duo;  Liu, Xinzijian;  Zhang, Xiangyu;  Zhang, Chengqian;  Cai, Chun;  Bi, Hangrui;  Du, Yiming;  Qin, Xuejian;  Peng, Anyang;  Huang, Jiameng;  Li, Bowen;  Shan, Yifan;  Zeng, Jinzhe;  Zhang, Yuzhi;  Liu, Siyuan;  Li, Yifan;  Chang, Junhan;  Wang, Xinyan;  Zhou, Shuo;  Liu, Jianchuan;  Luo, Xiaoshan;  Wang, Zhenyu;  Jiang, Wanrun;  Wu, Jing;  Yang, Yudi;  Yang, Jiyuan;  Yang, Manyi;  Gong, Fu-Qiang;  Zhang, Linshuang;  Shi, Mengchao;  Dai, Fu-Zhi;  York, Darrin M.;  Liu, Shi;  Zhu, Tong;  Zhong, Zhicheng;  Lv, Jian;  Cheng, Jun;  Jia, Weile;  Chen, Mohan;  Ke, Guolin;  Weinan, E.;  Zhang, Linfeng;  Wang, Han
收藏  |  浏览/下载：3/0  |  提交时间：2025/06/25
Enhancing crack self-healing properties of low-carbon LC3 cement using microbial induced calcite precipitation technique 期刊论文
FRONTIERS IN MATERIALS, 2024, 卷号: 11, 页码: 14
作者:  Wei, Wenzhu;  He, Qinglong;  Pang, Sen;  Ji, Shengjie;  Cheng, Yiluo;  Sun, Ninghui;  Liang, Yinghao
收藏  |  浏览/下载：0/0  |  提交时间：2025/06/25
limestone calcined clay cement  microbial induced calcite precipitation  Bacillus pasteurii  crack self-healing  compressive strength  low-carbon cementitious materials  
Named entity recognition in the perovskite field based on convolutional neural networks and MatBERT 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2024, 卷号: 240, 页码: 7
作者:  Zhang, Jiaxin;  Zhang, Lingxue;  Sun, Yuxuan;  Li, Wei;  Quhe, Ruge
收藏  |  浏览/下载：49/0  |  提交时间：2024/12/06
Named Entity Recognition  BERT  Convolutional Neural Network  Conditional Random Field  
An accelerated scheme for solving inhomogeneous elasticity in phase-field method and application to Ni-based multi-component alloys 期刊论文
MATERIALS TODAY COMMUNICATIONS, 2024, 卷号: 38, 页码: 11
作者:  Liu, Zhenzhi;  Zhao, Yan;  Shang, Genfeng;  Lu, Xiao-Gang;  Liu, Yao
收藏  |  浏览/下载：62/0  |  提交时间：2024/05/20
Accelerated scheme  Phase-field method  Inhomogeneous elasticity  Multi-component  
Organic/inorganic hybrids for intelligent sensing and wearable clean energy applications 期刊论文
ADVANCED COMPOSITES AND HYBRID MATERIALS, 2023, 卷号: 6, 期号: 5, 页码: 29
作者:  Zhao, Xiaotong;  Du, Yinxiao;  Li, Wei;  Zhao, Zebi;  Lei, Ming
收藏  |  浏览/下载：27/0  |  提交时间：2023/12/04
Organic/inorganic hybrids  Inorganic semiconductors  Organic materials  Hybridization  Individual components  
Anisotropic to Isotropic Transition in Monolayer Group-IV Tellurides 期刊论文
MATERIALS, 2021, 卷号: 14, 期号: 16, 页码: 12
作者:  Wang, Qian;  Wu, Liyuan;  Urban, Alexander;  Cao, Huawei;  Lu, Pengfei
收藏  |  浏览/下载：64/0  |  提交时间：2021/12/01
two-dimensional materials  group-IV tellurides  anisotropic structure  
Electronic and Topological Properties of Ultraflat Stanene Functionalized by Hydrogen and Halogen Atoms 期刊论文
JOURNAL OF ELECTRONIC MATERIALS, 2021, 页码: 7
作者:  Zhao, Huiyan;  Zhu, Pengfei;  Wang, Qian;  Cao, Huawei;  Wu, Ge;  Hao, Jinbo;  Han, Lihong;  Wu, Liyuan;  Lu, Pengfei
收藏  |  浏览/下载：57/0  |  提交时间：2021/12/01
Ultraflat stanene  first-principles calculations  functionalization  electronic and topological properties  
Investigation of native defects and impurities in X-N (X = Al, Ga, In) 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 188, 页码: 9
作者:  Chen, Yingjie;  Wu, Liyuan;  Liang, Dan;  Lu, Pengfei;  Wang, Jianjun;  Chen, Jun;  Cao, Huawei;  Han, Lihong
收藏  |  浏览/下载：59/0  |  提交时间：2021/12/01
Group III nitrides  First-principles  Bulk modulus  Defect levels  Formation energies  
Construction of ground-state preserving sparse lattice models for predictive materials simulations 期刊论文
NPJ COMPUTATIONAL MATERIALS, 2017, 卷号: 3, 页码: 9
作者:  Huang, Wenxuan;  Urban, Alexander;  Rong, Ziqin;  Ding, Zhiwei;  Luo, Chuan;  Ceder, Gerbrand
收藏  |  浏览/下载：71/0  |  提交时间：2019/12/10