Wei-Hai Fang (Weihai Fang)

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 168

Top Venues

The journal of physical chemistry letters

Journal of the American Chemical Society

The journal of physical chemistry. A

Journal of chemical theory and computation

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

Publications

Ling-Ya Peng, Rui Jin, Shi-Ru Zhang, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui
Roles of Nonadiabatic Processes, Reaction Mechanism, and Selectivity in Cu-Catalyzed [2 + 2] Photocycloaddition of Norbornene and Acetone to Oxetane. The Journal of organic chemistry 89 (16) (2024)
Yuxia Hao, Ruinong Han, Shuai Li, Lihong Liu, Wei-Hai Fang
A Complete Unveiling of the Mechanism and Chirality in Photoisomerization of Arylazopyrazole 3pzH: Combined Electronic Structure Calculations and AIMS Dynamic Simulations. The journal of physical chemistry. A 128 (3) (2024)
Xiaojiao Li, Ye-Guang Fang, Qi Bai, Jian Jiang, Xiao Cheng Zeng, Joseph S Francisco, Chongqin Zhu, Wei-Hai Fang
Two-dimensional ice-like water adlayers on a mica surface with and without a graphene coating under ambient conditions. Nanoscale 16 (24) (2024)
Yang Zhang, Meng-Ru Jia, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui
Photoinduced Dynamics of a Single-Walled Carbon Nanotube with a sp 3 Defect: The Importance of Excitonic Effects. The journal of physical chemistry. A (2024)
Ye-Guang Fang, Bo Tang, Chang Yuan, Zhengyi Wan, Lei Zhao, Shuang Zhu, Joseph S Francisco, Chongqin Zhu, Wei-Hai Fang
Mechanistic insight into the competition between interfacial and bulk reactions in microdroplets through N 2 O 5 ammonolysis and hydrolysis. Nature communications 15 (1) (2024)
Yulong Liu, Wei-Hai Fang, Run Long
Significant Impact of Defect Fluctuation on Charge Dynamics in CsPbI 3 : A Study Combining Machine Learning with Quantum Dynamics. The journal of physical chemistry letters 15 (14) (2024)
Yang Zhang, Meng-Ru Jia, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui
Photoinduced Dynamics of a Single-Walled Carbon Nanotube with a sp 3 Defect: The Importance of Excitonic Effects. The journal of physical chemistry. A 128 (17) (2024)
Xiaojiao Li, Ye-Guang Fang, Qi Bai, Jian Jiang, Xiao Cheng Zeng, Joseph S Francisco, Chongqin Zhu, Wei-Hai Fang
Two-dimensional ice-like water adlayers on a mica surface with and without a graphene coating under ambient conditions. Nanoscale (2024)
Zhaoxi Yu, Pujie Xue, Bin-Bin Xie, Lin Shen, Wei-Hai Fang
Multi-fidelity machine learning for predicting bandgaps of nonlinear optical crystals. Physical chemistry chemical physics : PCCP 26 (22) (2024)
Shoukuan Zhao, Diandong Tang, Xiaoxiao Xiao, Ruixia Wang, Qiming Sun, Zhen Chen, Xiaoxia Cai, Zhendong Li, Haifeng Yu, Wei-Hai Fang
Quantum Computation of Conical Intersections on a Programmable Superconducting Quantum Processor. The journal of physical chemistry letters (2024)
Ye-Guang Fang, Bo Tang, Chang Yuan, Zhengyi Wan, Lei Zhao, Shuang Zhu, Joseph S Francisco, Chongqin Zhu, Wei-Hai Fang
Mechanistic insight into the competition between interfacial and bulk reactions in microdroplets through N 2 O 5 ammonolysis and hydrolysis. Nature communications 15 (1) (2024)
Qian Zhou, Yuxia Hao, Jialong Jie, Shuo Wang, Ye Xia, Chunfan Yang, Lihong Liu, Wei-Hai Fang, Hongmei Su
Dual Functionality of 6-Methylthioguanine: Synergistic Effects Enhancing the Photolability of DNA Nucleobases. JACS Au 4 (2) (2024)
Ye-Guang Fang, Bo Tang, Chang Yuan, Zhengyi Wan, Lei Zhao, Shuang Zhu, Joseph S Francisco, Chongqin Zhu, Wei-Hai Fang
Mechanistic insight into the competition between interfacial and bulk reactions in microdroplets through N 2 O 5 ammonolysis and hydrolysis. Nature communications 15 (1) (2024)
Haoran Lu, Wei-Hai Fang, Run Long
Nonadiabatic Molecular Dynamics in Momentum Space Beyond Harmonic Approximation: Hot Electron Relaxation in Photoexcited Black Phosphorus. Journal of the American Chemical Society 146 (28) (2024)
Yuan-Jun Gao, Wen-Kai Chen, Wei-Hai Fang, Ganglong Cui
A Green Host-Guest Protocol to Improve Water Solubility of Fluorescent Dyes. The journal of physical chemistry letters (2024)
Xiang-Yang Liu, Sheng-Rui Wang, Wei-Hai Fang, Ganglong Cui
Nuclear Quantum Effects on Nonadiabatic Dynamics of a Green Fluorescent Protein Chromophore Analogue: Ring-Polymer Surface-Hopping Simulation. Journal of chemical theory and computation (2024)
Chunyang Xiang, Weile Jia, Wei-Hai Fang, Zhendong Li
Distributed Multi-GPU Ab Initio Density Matrix Renormalization Group Algorithm with Applications to the P-Cluster of Nitrogenase. Journal of chemical theory and computation (2024)
Bo Tang, Qi Bai, Ye-Guang Fang, Joseph S Francisco, Chongqin Zhu, Wei-Hai Fang
Mechanistic Insights into N 2 O 5 -Halide Ions Chemistry at the Air-Water Interface. Journal of the American Chemical Society 146 (31) (2024)
Yuxia Hao, Ruinong Han, Shuai Li, Lihong Liu, Wei-Hai Fang
A Complete Unveiling of the Mechanism and Chirality in Photoisomerization of Arylazopyrazole 3pzH: Combined Electronic Structure Calculations and AIMS Dynamic Simulations. The journal of physical chemistry. A (2024)
Shuai Li, Bin-Bin Xie, Bo-Wen Yin, Lihong Liu, Lin Shen, Wei-Hai Fang
Construction of Highly Accurate Machine Learning Potential Energy Surfaces for Excited-State Dynamics Simulations Based on Low-Level Data Sets. The journal of physical chemistry. A (2024)
Shoukuan Zhao, Diandong Tang, Xiaoxiao Xiao, Ruixia Wang, Qiming Sun, Zhen Chen, Xiaoxia Cai, Zhendong Li, Haifeng Yu, Wei-Hai Fang
Quantum Computation of Conical Intersections on a Programmable Superconducting Quantum Processor. The journal of physical chemistry letters 15 (28) (2024)
Xinbo Ma, Wei-Hai Fang, Run Long, Oleg V Prezhdo
Compression of Organic Molecules Coupled with Hydrogen Bonding Extends the Charge Carrier Lifetime in BA 2 SnI 4 . Journal of the American Chemical Society (2024)
Xiang-Yang Liu, Sheng-Rui Wang, Wei-Hai Fang, Ganglong Cui
Nuclear Quantum Effects on Nonadiabatic Dynamics of a Green Fluorescent Protein Chromophore Analogue: Ring-Polymer Surface-Hopping Simulation. Journal of chemical theory and computation 20 (9) (2024)
Zhaoxi Yu, Pujie Xue, Bin-Bin Xie, Lin Shen, Wei-Hai Fang
Multi-fidelity machine learning for predicting bandgaps of nonlinear optical crystals. Physical chemistry chemical physics : PCCP (2024)
Bo Tang, Qi Bai, Ye-Guang Fang, Joseph S Francisco, Chongqin Zhu, Wei-Hai Fang
Mechanistic Insights into N 2 O 5 -Halide Ions Chemistry at the Air-Water Interface. Journal of the American Chemical Society (2024)
Chunyang Xiang, Weile Jia, Wei-Hai Fang, Zhendong Li
Distributed Multi-GPU Ab Initio Density Matrix Renormalization Group Algorithm with Applications to the P-Cluster of Nitrogenase. Journal of chemical theory and computation 20 (2) (2024)
Ling-Ya Peng, Rui Jin, Shi-Ru Zhang, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui
Roles of Nonadiabatic Processes, Reaction Mechanism, and Selectivity in Cu-Catalyzed [2 + 2] Photocycloaddition of Norbornene and Acetone to Oxetane. The Journal of organic chemistry (2024)
Qian Zhou, Yuxia Hao, Jialong Jie, Shuo Wang, Ye Xia, Chunfan Yang, Lihong Liu, Wei-Hai Fang, Hongmei Su
Dual Functionality of 6-Methylthioguanine: Synergistic Effects Enhancing the Photolability of DNA Nucleobases. JACS Au 4 (2) (2024)
Xinbo Ma, Wei-Hai Fang, Run Long, Oleg V Prezhdo
Compression of Organic Molecules Coupled with Hydrogen Bonding Extends the Charge Carrier Lifetime in BA 2 SnI 4 . Journal of the American Chemical Society 146 (23) (2024)
Ye-Guang Fang, Laiyang Wei, Joseph S Francisco, Chongqin Zhu, Wei-Hai Fang
Mechanistic Insights into Chloric Acid Production by Hydrolysis of Chlorine Trioxide at an Air-Water Interface. Journal of the American Chemical Society (2024)
Xiaoxiao Xiao, Hewang Zhao, Jiajun Ren, Wei-Hai Fang, Zhendong Li
Physics-Constrained Hardware-Efficient Ansatz on Quantum Computers That Is Universal, Systematically Improvable, and Size-Consistent. Journal of chemical theory and computation 20 (5) (2024)
Xiaoxiao Xiao, Hewang Zhao, Jiajun Ren, Wei-Hai Fang, Zhendong Li
Physics-Constrained Hardware-Efficient Ansatz on Quantum Computers That Is Universal, Systematically Improvable, and Size-Consistent. Journal of chemical theory and computation (2024)
Yulong Liu, Wei-Hai Fang, Run Long
Significant Impact of Defect Fluctuation on Charge Dynamics in CsPbI 3 : A Study Combining Machine Learning with Quantum Dynamics. The journal of physical chemistry letters (2024)
Ye-Guang Fang, Laiyang Wei, Joseph S Francisco, Chongqin Zhu, Wei-Hai Fang
Mechanistic Insights into Chloric Acid Production by Hydrolysis of Chlorine Trioxide at an Air-Water Interface. Journal of the American Chemical Society 146 (30) (2024)
Shuai Li, Bin-Bin Xie, Bo-Wen Yin, Lihong Liu, Lin Shen, Wei-Hai Fang
Construction of Highly Accurate Machine Learning Potential Energy Surfaces for Excited-State Dynamics Simulations Based on Low-Level Data Sets. The journal of physical chemistry. A 128 (28) (2024)
Haoran Lu, Wei-Hai Fang, Run Long
Nonadiabatic Molecular Dynamics in Momentum Space Beyond Harmonic Approximation: Hot Electron Relaxation in Photoexcited Black Phosphorus. Journal of the American Chemical Society (2024)
Junjie Song, Ming Ma, Yi Dong, Mingwei Wan, Wei-Hai Fang, Lianghui Gao
Coarse-Grained Force Field for Polyethylene Oxide and Polyethylene Glycol Aqueous Solutions Based on a Polarizable Water Model. Journal of chemical theory and computation (2023)
Bo-Wen Yin, Jie-Lei Wang, Pu-Jie Xue, Teng-Shuo Zhang, Bin-Bin Xie, Lin Shen, Wei-Hai Fang
Understanding the Excited-State Relaxation Mechanisms of Xanthophyll Lutein by Multi-configurational Electronic Structure Calculations. Journal of chemical information and modeling (2023)
Yun-Hua Zhu, Xin-Xin Liu, Qiu Fang, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui
Multiple Photoisomerization Pathways of the Green Fluorescent Protein Chromophore in a Reversibly Photoswitchable Fluorescent Protein: Insights from Quantum Mechanics/Molecular Mechanics Simulations. The journal of physical chemistry letters 14 (10) (2023)
Yanting Yang, Jing Liang, Weijia Li, Wenjing Yang, Chu Wang, Xiaorui Zhang, Wei-Hai Fang, Zhen Guo, Xue-Bo Chen
Mechanistic Understanding and Reactivity Analyses for the Photochemistry of Disubstituted Tetrazoles. The journal of physical chemistry. A (2023)
Yonghao Zhu, Oleg V Prezhdo, Run Long, Wei-Hai Fang
Twist Angle-Dependent Intervalley Charge Carrier Transfer and Recombination in Bilayer WS 2 . Journal of the American Chemical Society (2023)
Zhan-Yun Zhang, Ding Peng, Lihong Liu, Lin Shen, Wei-Hai Fang
Machine Learning Prediction of Hydration Free Energy with Physically Inspired Descriptors. The journal of physical chemistry letters (2023)
Weijia Li, Juanjuan Wang, Wei-Hai Fang, Liang-Liang Wu, Xue-Bo Chen
Co-function Mechanisms of Chlorine and Alkoxy Radicals in Cerium-Catalyzed C-H Functionalization of Alkane Mediated by Visible Light. The journal of physical chemistry letters (2023)
Chu Wang, Xiao Liu, Qian Wang, Wei-Hai Fang, Xue-Bo Chen
Unveiling Mechanistic Insights and Photocatalytic Advancements in Intramolecular Photo-(3 + 2)-Cycloaddition: A Comparative Assessment of Two Paradigmatic Single-Electron-Transfer Models. JACS Au 4 (2) (2023)
Lin Zhang, Hengwei Qiu, Ran Shi, Jinsong Liu, Guangliu Ran, Wenkai Zhang, Gen-Ban Sun, Run Long, Wei-Hai Fang
Charge Transport Dynamics of Quasi-Type II Perovskite Janus Nanocrystals in High-Performance Photoconductors. The journal of physical chemistry letters 14 (7) (2023)
Lihong Liu, Wei-Hai Fang, Todd J Martinez
A Nitrogen Out-of-Plane (NOOP) Mechanism for Imine-Based Light-Driven Molecular Motors. Journal of the American Chemical Society (2023)
Yitong Zhang, Cheng Cheng, Zhaohui Zhou, Run Long, Wei-Hai Fang
Surface Hydroxylation during Water Splitting Promotes the Photoactivity of BiVO 4 (010) Surface by Suppressing Polaron-Mediated Charge Recombination. The journal of physical chemistry letters (2023)
Yulong Liu, Run Long, Wei-Hai Fang, Oleg V Prezhdo
Nuclear Quantum Effects Prolong Charge Carrier Lifetimes in Hybrid Organic-Inorganic Perovskites. Journal of the American Chemical Society (2023)
Ran Shi, Run Long, Wei-Hai Fang, Oleg V Prezhdo
Rapid Interlayer Charge Separation and Extended Carrier Lifetimes due to Spontaneous Symmetry Breaking in Organic and Mixed Organic-Inorganic Dion-Jacobson Perovskites. Journal of the American Chemical Society 145 (9) (2023)
Hongliang Li, Meng Guo, Zhaohui Zhou, Run Long, Wei-Hai Fang
Excitation-Wavelength-Dependent Charge-Carrier Lifetime in Hematite: An Insight from Nonadiabatic Molecular Dynamics. The journal of physical chemistry letters 14 (10) (2023)
Xiang-Yang Liu, Wen-Kai Chen, Wei-Hai Fang, Ganglong Cui
Nonadiabatic Dynamics Simulations for Photoinduced Processes in Molecules and Semiconductors: Methodologies and Applications. Journal of chemical theory and computation (2023)
Ming Ma, Junjie Song, Yi Dong, Wei-Hai Fang, Lianghui Gao
Structural and thermodynamic properties of bulk triglycerides and triglyceride/water mixtures reproduced using a polarizable coarse-grained model. Physical chemistry chemical physics : PCCP (2023)
Mingwei Wan, Junjie Song, Ying Yang, Lianghui Gao, Wei-Hai Fang
A top-down and bottom-up combined strategy for parameterization of coarse-grained force fields for phospholipids. Physical chemistry chemical physics : PCCP 25 (9) (2023)
Yun-Hua Zhu, Xin-Xin Liu, Qiu Fang, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui
Multiple Photoisomerization Pathways of the Green Fluorescent Protein Chromophore in a Reversibly Photoswitchable Fluorescent Protein: Insights from Quantum Mechanics/Molecular Mechanics Simulations. The journal of physical chemistry letters (2023)
Xiaorui Zhang, Lin Liu, Weijia Li, Chu Wang, Juanjuan Wang, Wei-Hai Fang, Xue-Bo Chen
Extended Single-Electron Transfer Model and Dynamically Associated Energy Transfer Event in a Dual-Functional Catalyst System. JACS Au 3 (5) (2023)
Chu Wang, Xiao Liu, Qian Wang, Wei-Hai Fang, Xue-Bo Chen
Unveiling Mechanistic Insights and Photocatalytic Advancements in Intramolecular Photo-(3 + 2)-Cycloaddition: A Comparative Assessment of Two Paradigmatic Single-Electron-Transfer Models. JACS Au 4 (2) (2023)
Mingwei Wan, Junjie Song, Ying Yang, Lianghui Gao, Wei-Hai Fang
A top-down and bottom-up combined strategy for parameterization of coarse-grained force fields for phospholipids. Physical chemistry chemical physics : PCCP (2023)
Yonghao Zhu, Run Long, Wei-Hai Fang
Substrate Ferroelectric Proximity Effects Have a Strong Influence on Charge Carrier Lifetime in Black Phosphorus. Nano letters (2023)
Wenshuang Huang, Ling-Ya Peng, Jiayu Zhang, Chenrui Liu, Guoyong Song, Ji-Hu Su, Wei-Hai Fang, Ganglong Cui, Shaowei Hu
Vanadium-Catalyzed Dinitrogen Reduction to Ammonia via a [V]═NNH 2 Intermediate. Journal of the American Chemical Society 145 (2) (2023)
Lin Zhang, Hengwei Qiu, Ran Shi, Jinsong Liu, Guangliu Ran, Wenkai Zhang, Gen-Ban Sun, Run Long, Wei-Hai Fang
Charge Transport Dynamics of Quasi-Type II Perovskite Janus Nanocrystals in High-Performance Photoconductors. The journal of physical chemistry letters (2023)
Ran Shi, Run Long, Wei-Hai Fang, Oleg V Prezhdo
Rapid Interlayer Charge Separation and Extended Carrier Lifetimes due to Spontaneous Symmetry Breaking in Organic and Mixed Organic-Inorganic Dion-Jacobson Perovskites. Journal of the American Chemical Society (2023)
Xuesong Tian, Qiu Fang, Run Long, Wei-Hai Fang
Great Influence of Pressure and Isotope Effects on Nonradiative Charge Loss in Hybrid Organic-Inorganic Perovskites. The journal of physical chemistry letters (2023)
Wenshuang Huang, Ling-Ya Peng, Jiayu Zhang, Chenrui Liu, Guoyong Song, Ji-Hu Su, Wei-Hai Fang, Ganglong Cui, Shaowei Hu
Vanadium-Catalyzed Dinitrogen Reduction to Ammonia via a [V]═NNH 2 Intermediate. Journal of the American Chemical Society 145 (2) (2023)
Wenshuang Huang, Ling-Ya Peng, Jiayu Zhang, Chenrui Liu, Guoyong Song, Ji-Hu Su, Wei-Hai Fang, Ganglong Cui, Shaowei Hu
Vanadium-Catalyzed Dinitrogen Reduction to Ammonia via a [V]═NNH 2 Intermediate. Journal of the American Chemical Society (2023)
Hongliang Li, Meng Guo, Zhaohui Zhou, Run Long, Wei-Hai Fang
Excitation-Wavelength-Dependent Charge-Carrier Lifetime in Hematite: An Insight from Nonadiabatic Molecular Dynamics. The journal of physical chemistry letters (2023)
Xiao-Ying Xie, Ke-Qin Cheng, Wen-Kai Chen, Wenzuo Li, Qing-Zhong Li, Juan Han, Wei-Hai Fang, Ganglong Cui
Near-Infrared Dual-Emission of a Thiolate-Protected Au 42 Nanocluster: Excited States, Nonradiative Rates, and Mechanism. The journal of physical chemistry letters (2023)
Haoran Lu, Run Long, Wei-Hai Fang
Electron- versus Spin-Phonon Coupling Governs the Temperature-Dependent Carrier Dynamics in the Topological Insulator Bi 2 Te 3 . Journal of the American Chemical Society (2023)
Wenshuang Huang, Ling-Ya Peng, Jiayu Zhang, Chenrui Liu, Guoyong Song, Ji-Hu Su, Wei-Hai Fang, Ganglong Cui, Shaowei Hu
Vanadium-Catalyzed Dinitrogen Reduction to Ammonia via a [V]═NNH 2 Intermediate. Journal of the American Chemical Society 145 (2) (2023)
Wen-Kai Chen, Wei-Hai Fang, Ganglong Cui
Extending multi-layer energy-based fragment method for excited-state calculations of large covalently bonded fragment systems. The Journal of chemical physics 158 (4) (2023)
Laiyang Wei, Qi Bai, Xiaojiao Li, Ziyuan Liu, Chenruyuan Li, Yanhong Cui, Lin Shen, Chongqin Zhu, Wei-Hai Fang
Puckered Zigzag Monolayer Ice: Does a Confined Flat Four-Coordinated Monolayer Ice Always Have a Corresponding Puckered Phase? The journal of physical chemistry letters (2023)
Yun-Hua Zhu, Xin-Xin Liu, Qiu Fang, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui
Multiple Photoisomerization Pathways of the Green Fluorescent Protein Chromophore in a Reversibly Photoswitchable Fluorescent Protein: Insights from Quantum Mechanics/Molecular Mechanics Simulations. The journal of physical chemistry letters 14 (10) (2023)
Yanting Yang, Jing Liang, Weijia Li, Wenjing Yang, Chu Wang, Xiaorui Zhang, Wei-Hai Fang, Zhen Guo, Xue-Bo Chen
Mechanistic Understanding and Reactivity Analyses for the Photochemistry of Disubstituted Tetrazoles. The journal of physical chemistry. A 127 (18) (2023)
Zhan-Yun Zhang, Ding Peng, Lihong Liu, Lin Shen, Wei-Hai Fang
Machine Learning Prediction of Hydration Free Energy with Physically Inspired Descriptors. The journal of physical chemistry letters 14 (7) (2023)
Lixin Xiong, Neil Qiang Su, Wei-Hai Fang
The Role of Self-Catalysis Induced by Co Doping in Nonaqueous Li-O 2 Batteries. The journal of physical chemistry letters (2023)
Cheng Cheng, Oleg V Prezhdo, Run Long, Wei-Hai Fang
Photolysis versus Photothermolysis of N 2 O on a Semiconductor Surface Revealed by Nonadiabatic Molecular Dynamics. Journal of the American Chemical Society (2022)
Yanting Yang, Lin Liu, Wei-Hai Fang, Lin Shen, Xue-Bo Chen
Theoretical Exploration of Energy Transfer and Single Electron Transfer Mechanisms to Understand the Generation of Triplet Nitrene and the C(sp 3 )-H Amidation with Photocatalysts. JACS Au 2 (11) (2022)
Lu Qiao, Wei-Hai Fang, Oleg V Prezhdo, Run Long
Suppressing Oxygen-Induced Deterioration of Metal Halide Perovskites by Alkaline Earth Metal Doping: A Quantum Dynamics Study. Journal of the American Chemical Society 144 (12) (2022)
Haoran Lu, Wei-Hai Fang, Run Long
Collective Motion Improves the Stability and Charge Carrier Lifetime of Metal Halide Perovskites: A Phonon-Resolved Nonadiabatic Molecular Dynamics Study. The journal of physical chemistry letters 13 (13) (2022)
Han Zhou, Xiuli Hu, Wei-Hai Fang, Neil Qiang Su
Revealing intrinsic spin coupling in transition metal-doped graphene. Physical chemistry chemical physics : PCCP 24 (26) (2022)
Chen Dong, Jia-Jia Yang, Lin-Hua Xie, Ganglong Cui, Wei-Hai Fang, Jian-Rong Li
Catalytic ozone decomposition and adsorptive VOCs removal in bimetallic metal-organic frameworks. Nature communications 13 (1) (2022)
Lin Zhang, Ran Shi, Hengwei Qiu, Xiaofan Jiang, Gen-Ban Sun, Run Long, Wei-Hai Fang
Highly Efficient White Emission from Semiconductor Ink Based on Copper Iodide Nanoclusters. The journal of physical chemistry letters 13 (51) (2022)
Meng Wang, Wei-Hai Fang, Chenyang Li
Assessment of State-Averaged Driven Similarity Renormalization Group on Vertical Excitation Energies: Optimal Flow Parameters and Applications to Nucleobases. Journal of chemical theory and computation (2022)
Xi Zhao, Haoran Lu, Wei-Hai Fang, Run Long
Correlated organic-inorganic motion enhances stability and charge carrier lifetime in mixed halide perovskites. Nanoscale 14 (12) (2022)
Meng Wang, Wei-Hai Fang, Chenyang Li
Assessment of State-Averaged Driven Similarity Renormalization Group on Vertical Excitation Energies: Optimal Flow Parameters and Applications to Nucleobases. Journal of chemical theory and computation 19 (1) (2022)
Cheng Cheng, Oleg V Prezhdo, Run Long, Wei-Hai Fang
Photolysis versus Photothermolysis of N 2 O on a Semiconductor Surface Revealed by Nonadiabatic Molecular Dynamics. Journal of the American Chemical Society 145 (1) (2022)
Yulong Liu, Run Long, Wei-Hai Fang
Great Influence of Organic Cation Motion on Charge Carrier Dynamics in Metal Halide Perovskite Unraveled by Unsupervised Machine Learning. The journal of physical chemistry letters 13 (36) (2022)
Kaixuan Huang, Xiaoxia Cai, Hao Li, Zi-Yong Ge, Ruijuan Hou, Hekang Li, Tong Liu, Yunhao Shi, Chitong Chen, Dongning Zheng, Kai Xu, Zhi-Bo Liu, Zhendong Li, Heng Fan, Wei-Hai Fang
Variational Quantum Computation of Molecular Linear Response Properties on a Superconducting Quantum Processor. The journal of physical chemistry letters 13 (39) (2022)
Xiuli Hu, Lixin Xiong, Wei-Hai Fang, Neil Qiang Su
Computational Insight into Metallated Graphynes as Single Atom Electrocatalysts for Nitrogen Fixation. ACS applied materials & interfaces 14 (24) (2022)
Liang-Liang Wu, Yu Fang, Wanlong Zuo, Juanjuan Wang, Ju Wang, Shufeng Wang, Zhifeng Cui, Wei-Hai Fang, Hao-Ling Sun, Yun-Liang Li, Xue-Bo Chen
Excited-State Dynamics of Crossing-Controlled Energy Transfer in Europium Complexes. JACS Au 2 (4) (2022)
Meng Wang, Wei-Hai Fang, Chenyang Li
Assessment of State-Averaged Driven Similarity Renormalization Group on Vertical Excitation Energies: Optimal Flow Parameters and Applications to Nucleobases. Journal of chemical theory and computation 19 (1) (2022)
Ye-Guang Fang, Wei-Hai Fang
Nature of excited-state dependent hydrogen bonds and their critical role in determining the photophysical properties of aromatic thioketones. Physical chemistry chemical physics : PCCP 24 (28) (2022)
Ran Shi, Qiu Fang, Andrey S Vasenko, Run Long, Wei-Hai Fang, Oleg V Prezhdo
Structural Disorder in Higher-Temperature Phases Increases Charge Carrier Lifetimes in Metal Halide Perovskites. Journal of the American Chemical Society 144 (41) (2022)
Lu Qiao, Wei-Hai Fang, Run Long
Dual Passivation of Point Defects at Perovskite Grain Boundaries with Ammonium Salts Greatly Inhibits Nonradiative Charge Recombination. The journal of physical chemistry letters 13 (4) (2022)
Lin Zhang, Ran Shi, Hengwei Qiu, Xiaofan Jiang, Gen-Ban Sun, Run Long, Wei-Hai Fang
Highly Efficient White Emission from Semiconductor Ink Based on Copper Iodide Nanoclusters. The journal of physical chemistry letters (2022)
Wenna Ai, Wei-Hai Fang, Neil Qiang Su
Functional-Based Description of Electronic Dynamic and Strong Correlation: Old Issues and New Insights. The journal of physical chemistry letters 13 (7) (2022)
Ye-Guang Fang, Xiaojiao Li, Yurui Gao, Yan-Hong Cui, Joseph S Francisco, Chongqin Zhu, Wei-Hai Fang
Efficient exploration of complex free energy landscapes by stepwise multi-subphase space metadynamics. The Journal of chemical physics 157 (21) (2022)
Diandong Tang, Luyang Jia, Lin Shen, Wei-Hai Fang
Fewest-Switches Surface Hopping with Long Short-Term Memory Networks. The journal of physical chemistry letters 13 (44) (2022)
Yi-Fan Yao, Zhang Zhang, Wei-Hai Fang, Neil Qiang Su
Explicit-by-Implicit Treatment of Natural Orbital Occupations Using First- and Second-Order Optimization Algorithms: A Comparative Study. The journal of physical chemistry. A 126 (33) (2022)
Yi Dong, Lei Fu, Junjie Song, Shan Zhang, Xiangyuan Li, Wei-Hai Fang, Qiang Cui, Lianghui Gao
Thermodynamic Driving Forces for Divalent Cations Binding to Zwitterionic Phospholipid Membranes. The journal of physical chemistry letters 13 (48) (2022)
Cheng Cheng, Wei-Hai Fang, Run Long, Oleg V Prezhdo
Water Splitting with a Single-Atom Cu/TiO2 Photocatalyst: Atomistic Origin of High Efficiency and Proposed Enhancement by Spin Selection. JACS Au 1 (5) (2021)

Wei-Hai Fang.css-eqlu8i{font-size:small;padding-left:4px;} (Weihai Fang)

Publication Activity (10 Years)

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Wei-Hai Fang (Weihai Fang)