Wei Hu

ResearcherID Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 51

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry letters

Nano letters

The journal of physical chemistry. A

Lawrence Berkeley National Laboratory

University of Science and Technology of China (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Lawrence Berkeley National Laboratory Jan 01 2014 - Dec 31 2017

United States

Postdoctoral Researcher :: Computational Research Division

Education History

University of Science and Technology of China Sep 01 2003 - Jul 31 2013

China

PHD :: Physical Chemistry Department

Publications

Jielan Li, Liu Yang, Lingyun Wan, Wei Hu, Jinglong Yang
Machine Learning K-Means Clustering in Interpolative Separable Density Fitting Algorithm: Advancing Accurate and Efficient Cubic-Scaling Density Functional Perturbation Theory Calculations within Plane Waves. The journal of physical chemistry. A (2024)
Yifan Ke, Lingyun Wan, Xinming Qin, Wei Hu, Jinglong Yang
Proposed Quantum Twisting Scanning Probe Microscope over Twisted Bilayer Graphene. Nano letters 24 (15) (2024)
Qian Zhang, Yuanfan Xiong, Yunzhi Gao, Jiajia Chen, Wei Hu, Jinglong Yang
First-Principles High-Throughput Inverse Design of Direct Momentum-Matching Band Alignment van der Waals Heterostructures Utilizing Two-Dimensional Indirect Semiconductors. Nano letters (2024)
Jielan Li, Liu Yang, Lingyun Wan, Wei Hu, Jinglong Yang
Machine Learning K-Means Clustering in Interpolative Separable Density Fitting Algorithm: Advancing Accurate and Efficient Cubic-Scaling Density Functional Perturbation Theory Calculations within Plane Waves. The journal of physical chemistry. A 128 (10) (2024)
Shizhe Jiao, Jielan Li, Xinming Qin, Lingyun Wan, Wei Hu, Jinglong Yang
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. The journal of physical chemistry. A 128 (10) (2024)
Ruoting Yin, Xiang Zhu, Qiang Fu, Tianyi Hu, Lingyun Wan, Yingying Wu, Yifan Liang, Zhengya Wang, Zhen-Lin Qiu, Yuan-Zhi Tan, Chuanxu Ma, Shijing Tan, Wei Hu, Bin Li, Zhengfei Wang, Jinglong Yang, Bing Wang
Artificial kagome lattices of Shockley surface states patterned by halogen hydrogen-bonded organic frameworks. Nature communications 15 (1) (2024)
Yunzhi Gao, Qian Zhang, Wei Hu, Jinglong Yang
First-Principles Computational Screening of Two-Dimensional Polar Materials for Photocatalytic Water Splitting. ACS nano (2024)
Yunzhi Gao, Qian Zhang, Wei Hu, Jinglong Yang
First-Principles Computational Screening of Two-Dimensional Polar Materials for Photocatalytic Water Splitting. ACS nano 18 (29) (2024)
Qian Zhang, Yuanfan Xiong, Yunzhi Gao, Jiajia Chen, Wei Hu, Jinglong Yang
First-Principles High-Throughput Inverse Design of Direct Momentum-Matching Band Alignment van der Waals Heterostructures Utilizing Two-Dimensional Indirect Semiconductors. Nano letters 24 (12) (2024)
Shizhe Jiao, Jielan Li, Xinming Qin, Lingyun Wan, Wei Hu, Jinglong Yang
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. The journal of physical chemistry. A (2024)
Ruoting Yin, Xiang Zhu, Qiang Fu, Tianyi Hu, Lingyun Wan, Yingying Wu, Yifan Liang, Zhengya Wang, Zhen-Lin Qiu, Yuan-Zhi Tan, Chuanxu Ma, Shijing Tan, Wei Hu, Bin Li, Zhengfei Wang, Jinglong Yang, Bing Wang
Artificial kagome lattices of Shockley surface states patterned by halogen hydrogen-bonded organic frameworks. Nature communications 15 (1) (2024)
Yifan Ke, Lingyun Wan, Xinming Qin, Wei Hu, Jinglong Yang
Proposed Quantum Twisting Scanning Probe Microscope over Twisted Bilayer Graphene. Nano letters (2024)
Ke Yang, Jiabin Ma, Yuhang Li, Junyu Jiao, Shizhe Jiao, Xufei An, Gui-Ming Zhong, Likun Chen, Yuyuan Jiang, Yang Liu, Danfeng Zhang, Jinshuo Mi, Jie Biao, Boyu Li, Xing Cheng, Shaoke Guo, Yuetao Ma, Wei Hu, Shichao Wu, Jiaxin Zheng, Ming Liu, Yan-Bing He, Feiyu Kang
Weak-Interaction Environment in a Composite Electrolyte Enabling Ultralong-Cycling High-Voltage Solid-State Lithium Batteries. Journal of the American Chemical Society (2024)
Lei Wang, Xiaofeng Liu, Lingyun Wan, Yunzhi Gao, Xiaoning Wang, Jie Liu, Shijing Tan, Qing Guo, Wenhui Zhao, Wei Hu, Qunxiang Li, Jinglong Yang
Excitonic Effects of the Excited-State Photocatalytic Reaction at the Molecule/Metal Oxide Interface. The journal of physical chemistry letters 15 (7) (2024)
Huimin Xu, Lei Wang, Linjie Chen, Xiaochuan Ma, Wei Hu, Jin Zhao, Shijing Tan, Bing Wang
Stabilizing Fe Single Atoms on Rutile-TiO 2 (110) Surface Via Atomic Substitution. The journal of physical chemistry letters (2024)
Zhenlin Zhang, Xilin Yin, Wei Hu, Jinglong Yang
Machine Learning K-Means Clustering of Interpolative Separable Density Fitting Algorithm for Accurate and Efficient Cubic-Scaling Exact Exchange Plus Random Phase Approximation within Plane Waves. Journal of chemical theory and computation 20 (5) (2024)
Lei Wang, Xiaofeng Liu, Lingyun Wan, Yunzhi Gao, Xiaoning Wang, Jie Liu, Shijing Tan, Qing Guo, Wenhui Zhao, Wei Hu, Qunxiang Li, Jinglong Yang
Excitonic Effects of the Excited-State Photocatalytic Reaction at the Molecule/Metal Oxide Interface. The journal of physical chemistry letters (2024)
Zhenlin Zhang, Xilin Yin, Wei Hu, Jinglong Yang
Machine Learning K-Means Clustering of Interpolative Separable Density Fitting Algorithm for Accurate and Efficient Cubic-Scaling Exact Exchange Plus Random Phase Approximation within Plane Waves. Journal of chemical theory and computation (2024)
Yang Kang, Danhao Wang, Yunzhi Gao, Siqi Guo, Kejun Hu, Boyang Liu, Shi Fang, Muhammad Hunain Memon, Xin Liu, Yuanmin Luo, Xiyu Sun, Dongyang Luo, Wei Chen, Liuan Li, Hongfeng Jia, Wei Hu, Zhenghui Liu, Binghui Ge, Haiding Sun
Achieving Record-High Photoelectrochemical Photoresponse Characteristics by Employing Co 3 O 4 Nanoclusters as Hole Charging Layer for Underwater Optical Communication. ACS nano (2023)
Xinming Qin, Wei Hu, Jinglong Yang
Interpolative Separable Density Fitting for Accelerating Two-Electron Integrals: A Theoretical Perspective. Journal of chemical theory and computation 19 (3) (2023)
Xiaofeng Liu, Haidi Wang, Zhao Chen, Weiduo Zhu, ZhongJun Li, Wei Hu, Haixiao Xiao, Xiao Cheng Zeng
Enhanced Direct Exchange Interaction and Hybridization by Single-Atom Linkers for High Curie Temperature and Superior Visible-Light Harvesting in Cr 3 (CN 3 ) 2 . Nano letters 24 (1) (2023)
Xinming Qin, Wei Hu, Jinglong Yang
Interpolative Separable Density Fitting for Accelerating Two-Electron Integrals: A Theoretical Perspective. Journal of chemical theory and computation (2023)
Chuanxu Ma, Jufeng Wang, Huanhuan Ma, Ruoting Yin, Xin-Jing Zhao, Hongjian Du, Xinyong Meng, Yifan Ke, Wei Hu, Bin Li, Shijing Tan, Yuan-Zhi Tan, Jinglong Yang, Bing Wang
Remote-Triggered Domino-like Cyclodehydrogenation in Second-Layer Topological Graphene Nanoribbons. Journal of the American Chemical Society 145 (18) (2023)
Chuanxu Ma, Jufeng Wang, Huanhuan Ma, Ruoting Yin, Xin-Jing Zhao, Hongjian Du, Xinyong Meng, Yifan Ke, Wei Hu, Bin Li, Shijing Tan, Yuan-Zhi Tan, Jinglong Yang, Bing Wang
Remote-Triggered Domino-like Cyclodehydrogenation in Second-Layer Topological Graphene Nanoribbons. Journal of the American Chemical Society (2023)
Xiaofeng Liu, Haidi Wang, Zhao Chen, Weiduo Zhu, ZhongJun Li, Wei Hu, Haixiao Xiao, Xiao Cheng Zeng
Enhanced Direct Exchange Interaction and Hybridization by Single-Atom Linkers for High Curie Temperature and Superior Visible-Light Harvesting in Cr 3 (CN 3 ) 2 . Nano letters (2023)
Yang Kang, Danhao Wang, Yunzhi Gao, Siqi Guo, Kejun Hu, Boyang Liu, Shi Fang, Muhammad Hunain Memon, Xin Liu, Yuanmin Luo, Xiyu Sun, Dongyang Luo, Wei Chen, Liuan Li, Hongfeng Jia, Wei Hu, Zhenghui Liu, Binghui Ge, Haiding Sun
Achieving Record-High Photoelectrochemical Photoresponse Characteristics by Employing Co 3 O 4 Nanoclusters as Hole Charging Layer for Underwater Optical Communication. ACS nano 17 (4) (2023)
Qian Wu, Mandi Fang, Shizhe Jiao, Siyuan Li, Shichao Zhang, Zeyu Shen, Shulan Mao, Jiale Mao, Jiahui Zhang, Yuanzhong Tan, Kang Shen, Jiaxing Lv, Wei Hu, Yi He, Yingying Lu
Phase regulation enabling dense polymer-based composite electrolytes for solid-state lithium metal batteries. Nature communications 14 (1) (2023)
Sheng Chen, Kai Wu, Wei Hu, Jinglong Yang
Low-rank approximations for accelerating plane-wave hybrid functional calculations in unrestricted and noncollinear spin density functional theory. The Journal of chemical physics 158 (13) (2023)
Xiaoning Wang, Lingyun Wan, Zijian Wang, Xiaofeng Liu, Yunzhi Gao, Lei Wang, Jie Liu, Qing Guo, Wei Hu, Jinglong Yang
Identifying Photocatalytic Active Sites of C 2 H 6 C-H Bond Activation on TiO 2 via Combining First-Principles Ground-State and Excited-State Electronic Structure Calculations. The journal of physical chemistry letters 13 (28) (2022)
Jie Liu, Wei Hu, Jinglong Yang
Accelerating Linear-Response Time-Dependent Hybrid Density Functional Theory with Low-Rank Decomposition Techniques in the Plane-Wave Basis. Journal of chemical theory and computation 18 (11) (2022)
Jielan Li, Wei Hu, Jinglong Yang
High-Throughput Screening of Rattling-Induced Ultralow Lattice Thermal Conductivity in Semiconductors. Journal of the American Chemical Society 144 (10) (2022)
Jiajia Chen, Kai Wu, Wei Hu, Jinglong Yang
High-Throughput Inverse Design for 2D Ferroelectric Rashba Semiconductors. Journal of the American Chemical Society 144 (43) (2022)
Jiajia Chen, Kai Wu, Wei Hu, Jinglong Yang
Spin-Orbit Coupling in 2D Semiconductors: A Theoretical Perspective. The journal of physical chemistry letters 12 (51) (2021)
Jiajia Chen, Kai Wu, Wei Hu, Jinglong Yang
Tunable Rashba Spin Splitting in Two-Dimensional Polar Perovskites. The journal of physical chemistry letters 12 (7) (2021)
Yunzhi Gao, Cenfeng Fu, Wei Hu, Jinglong Yang
Designing Direct Z-Scheme Heterojunctions Enabled by Edge-Modified Phosphorene Nanoribbons for Photocatalytic Overall Water Splitting. The journal of physical chemistry letters 13 (1) (2021)
Huanhuan Ma, Lei Wang, Lingyun Wan, Jielan Li, Xinming Qin, Jie Liu, Wei Hu, Lin Lin, Chao Yang, Jinglong Yang
Realizing Effective Cubic-Scaling Coulomb Hole Plus Screened Exchange Approximation in Periodic Systems via Interpolative Separable Density Fitting with a Plane-Wave Basis Set. The journal of physical chemistry. A 125 (34) (2021)
Kai Wu, Xinming Qin, Wei Hu, Jinglong Yang
Low-Rank Approximations Accelerated Plane-Wave Hybrid Functional Calculations with k-Point Sampling. Journal of chemical theory and computation 18 (1) (2021)
Xiaofeng Liu, Xinming Qin, Xiangyang Li, Zijing Ding, Xingxing Li, Wei Hu, Jinglong Yang
Designing Two-Dimensional Versatile Room-Temperature Ferromagnets via Assembling Large-Scale Magnetic Quantum Dots. Nano letters 21 (22) (2021)
Xiaofeng Liu, Pengfei Gao, Wei Hu, Jinglong Yang
Photogenerated-Carrier Separation and Transfer in Two-Dimensional Janus Transition Metal Dichalcogenides and Graphene van der Waals Sandwich Heterojunction Photovoltaic Cells. The journal of physical chemistry letters 11 (10) (2020)
Xinming Qin, Jielan Li, Wei Hu, Jinglong Yang
Machine Learning K-Means Clustering Algorithm for Interpolative Separable Density Fitting to Accelerate Hybrid Functional Calculations with Numerical Atomic Orbitals. The journal of physical chemistry. A 124 (48) (2020)
Yunzhi Gao, Kai Wu, Wei Hu, Jinglong Yang
Highly efficient heterojunction solar cells enabled by edge-modified tellurene nanoribbons. Physical chemistry chemical physics : PCCP (2020)
Xinming Qin, Jie Liu, Wei Hu, Jinglong Yang
Interpolative Separable Density Fitting Decomposition for Accelerating Hartree-Fock Exchange Calculations within Numerical Atomic Orbitals. The journal of physical chemistry. A 124 (27) (2020)
Kai Wu, Jiajia Chen, Huanhuan Ma, Lingyun Wan, Wei Hu, Jinglong Yang
Two-Dimensional Giant Tunable Rashba Semiconductors with Two-Atom-Thick Buckled Honeycomb Structure. Nano letters 21 (1) (2020)
Jiajia Chen, Kai Wu, Huanhuan Ma, Wei Hu, Jinglong Yang
Tunable Rashba spin splitting in Janus transition-metal dichalcogenide monolayers via charge doping. RSC advances 10 (11) (2020)
Wei Hu, Jie Liu, Yingzhou Li, Zijing Ding, Chao Yang, Jinglong Yang
Accelerating Excitation Energy Computation in Molecules and Solids within Linear-Response Time-Dependent Density Functional Theory via Interpolative Separable Density Fitting Decomposition. Journal of chemical theory and computation 16 (2) (2020)
Kun Dong, Wei Hu, Lin Lin
Interpolative Separable Density Fitting through Centroidal Voronoi Tessellation with Applications to Hybrid Functional Electronic Structure Calculations. Journal of chemical theory and computation 14 (3) (2018)
Shengjun Liu, Wei Hu, Jayanta Kr Nath, Jing Tong, Xudong Hou, Wenlong Liu, Jinlong Yang, Bo Liu
[Ti12In6O18(OOCC6H5)30]: a multifunctional hetero-polyoxotitanate nanocluster with high stability and visible photoactivity. Dalton transactions (Cambridge, England : 2003) 46 (3) (2018)
Wei Hu, Lin Lin, Chao Yang
Projected Commutator DIIS Method for Accelerating Hybrid Functional Electronic Structure Calculations. Journal of chemical theory and computation 13 (11) (2017)
Wei Hu, Lin Lin, Chao Yang
Interpolative Separable Density Fitting Decomposition for Accelerating Hybrid Density Functional Calculations with Applications to Defects in Silicon. Journal of chemical theory and computation 13 (11) (2017)
Wei Hu, Lin Lin, Amartya S Banerjee, Eugene Vecharynski, Chao Yang
Adaptively Compressed Exchange Operator for Large-Scale Hybrid Density Functional Calculations with Applications to the Adsorption of Water on Silicene. Journal of chemical theory and computation 13 (3) (2017)
Wei Hu, Lin Lin, Ruiqi Zhang, Chao Yang, Jinglong Yang
Highly Efficient Photocatalytic Water Splitting over Edge-Modified Phosphorene Nanoribbons. Journal of the American Chemical Society 139 (43) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Wei Hu