High Thermoelectric and Reversible p‑n‑p Conduction Type Switching Integrated in Dimetal Chalcogenide
Xiao, Chong, Qin, Xinming, Zhang, Jie, An, Ran, Xu, Jie, Li, Kun, Cao, Boxiao, Yang, Jinlong, Ye, Bangjiao, Xie, Yi
Published in Journal of the American Chemical Society (07.11.2012)
Published in Journal of the American Chemical Society (07.11.2012)
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Journal Article
HONPAS: A linear scaling open-source solution for large system simulations
Qin, Xinming, Shang, Honghui, Xiang, Hongjun, Li, Zhenyu, Yang, Jinlong
Published in International journal of quantum chemistry (15.05.2015)
Published in International journal of quantum chemistry (15.05.2015)
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Journal Article
Machine Learning K‑Means Clustering Algorithm for Interpolative Separable Density Fitting to Accelerate Hybrid Functional Calculations with Numerical Atomic Orbitals
Qin, Xinming, Li, Jielan, Hu, Wei, Yang, Jinlong
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.12.2020)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.12.2020)
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Journal Article
Proposed Quantum Twisting Scanning Probe Microscope over Twisted Bilayer Graphene
Ke, Yifan, Wan, Lingyun, Qin, Xinming, Hu, Wei, Yang, Jinlong
Published in Nano letters (17.04.2024)
Published in Nano letters (17.04.2024)
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Journal Article
Low-Rank Approximations Accelerated Plane-Wave Hybrid Functional Calculations with k‑Point Sampling
Wu, Kai, Qin, Xinming, Hu, Wei, Yang, Jinlong
Published in Journal of chemical theory and computation (11.01.2022)
Published in Journal of chemical theory and computation (11.01.2022)
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Journal Article
Interpolative Separable Density Fitting Decomposition for Accelerating Hartree–Fock Exchange Calculations within Numerical Atomic Orbitals
Qin, Xinming, Liu, Jie, Hu, Wei, Yang, Jinlong
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.07.2020)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.07.2020)
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Journal Article
Complex-Valued K‑Means Clustering of Interpolative Separable Density Fitting Algorithm for Large-Scale Hybrid Functional Enabled Ab Initio Molecular Dynamics Simulations within Plane Waves
Jiao, Shizhe, Li, Jielan, Qin, Xinming, Wan, Lingyun, Hu, Wei, Yang, Jinlong
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.03.2024)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.03.2024)
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Journal Article
Designing Two-Dimensional Versatile Room-Temperature Ferromagnets via Assembling Large-Scale Magnetic Quantum Dots
Liu, Xiaofeng, Qin, Xinming, Li, Xiangyang, Ding, Zijing, Li, Xingxing, Hu, Wei, Yang, Jinlong
Published in Nano letters (24.11.2021)
Published in Nano letters (24.11.2021)
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Journal Article
Realizing Effective Cubic-Scaling Coulomb Hole Plus Screened Exchange Approximation in Periodic Systems via Interpolative Separable Density Fitting with a Plane-Wave Basis Set
Ma, Huanhuan, Wang, Lei, Wan, Lingyun, Li, Jielan, Qin, Xinming, Liu, Jie, Hu, Wei, Lin, Lin, Yang, Chao, Yang, Jinlong
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.09.2021)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.09.2021)
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Journal Article
KSSOLV 2.0: An efficient MATLAB toolbox for solving the Kohn-Sham equations with plane-wave basis set
Jiao, Shizhe, Zhang, Zhenlin, Wu, Kai, Wan, Lingyun, Ma, Huanhuan, Li, Jielan, Chen, Sheng, Qin, Xinming, Liu, Jie, Ding, Zijing, Yang, Jinlong, Li, Yingzhou, Hu, Wei, Lin, Lin, Yang, Chao
Published in Computer physics communications (01.10.2022)
Published in Computer physics communications (01.10.2022)
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Journal Article
High performance computing of DGDFT for tens of thousands of atoms using millions of cores on Sunway TaihuLight
Hu, Wei, Qin, Xinming, Jiang, Qingcai, Chen, Junshi, An, Hong, Jia, Weile, Li, Fang, Liu, Xin, Chen, Dexun, Liu, Fangfang, Zhao, Yuwen, Yang, Jinlong
Published in Science bulletin (30.01.2021)
Published in Science bulletin (30.01.2021)
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Journal Article
Extending the limit of LR-TDDFT on two different approaches: Numerical algorithms and new Sunway heterogeneous supercomputer
Jiang, Qingcai, Cao, Zhenwei, Cui, Xinhui, Wan, Lingyun, Qin, Xinming, Cao, Huanqi, An, Hong, Chen, Junshi, Liu, Jie, Hu, Wei, Yang, Jinlong
Published in Parallel computing (01.06.2024)
Published in Parallel computing (01.06.2024)
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Journal Article
Mixed magnetic edge states in graphene quantum dots
Li, Junyao, Liu, Xiaofeng, Wan, Lingyun, Qin, Xinming, Hu, Wei, Yang, Jinlong
Published in Multifunctional materials (01.03.2022)
Published in Multifunctional materials (01.03.2022)
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Journal Article