Publications by authors named "Shuaihua Lu"

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Anti-dimerization 56π-electron fullerene adduct bearing bulky functional groups for inverted perovskite solar cells with enhanced interfacial stability.
Xue Wang, Shenghu Yuan, Shuaihua Lu, Zheng Liang, Shantao Zhang

Natl Sci Rev· December 2025

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Accurate prediction of synthesizability and precursors of 3D crystal structures via large language models.
Zhilong Song, Shuaihua Lu, Minggang Ju, Qionghua Zhou, Jinlan Wang

Nat Commun· July 2025

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Inverse design of promising electrocatalysts for CO reduction via generative models and bird swarm algorithm.
Zhilong Song, Linfeng Fan, Shuaihua Lu, Chongyi Ling, Qionghua Zhou

Nat Commun· January 2025

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Author Correction: From bulk effective mass to 2D carrier mobility accurate prediction via adversarial transfer learning.
Xinyu Chen, Shuaihua Lu, Qian Chen, Qionghua Zhou, Jinlan Wang

Nat Commun· July 2024

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From bulk effective mass to 2D carrier mobility accurate prediction via adversarial transfer learning.
Xinyu Chen, Shuaihua Lu, Qian Chen, Qionghua Zhou, Jinlan Wang

Nat Commun· June 2024

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Universal machine learning aided synthesis approach of two-dimensional perovskites in a typical laboratory.
Yilei Wu, Chang-Feng Wang, Ming-Gang Ju, Qiangqiang Jia, Qionghua Zhou, Shuaihua Lu

Nat Commun· January 2024

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Adaptive Design of Alloys for CO Activation and Methanation via Reinforcement Learning Monte Carlo Tree Search Algorithm.
Zhilong Song, Qionghua Zhou, Shuaihua Lu, Sae Dieb, Chongyi Ling

J Phys Chem Lett· April 2023

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Inverse design with deep generative models: next step in materials discovery.
Shuaihua Lu, Qionghua Zhou, Xinyu Chen, Zhilong Song, Jinlan Wang

Natl Sci Rev· August 2022

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A Universal Descriptor for Complicated Interfacial Effects on Electrochemical Reduction Reactions.
Chunjin Ren, Shuaihua Lu, Yilei Wu, Yixin Ouyang, Yehui Zhang

J Am Chem Soc· July 2022

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Coexistence of Semiconducting Ferromagnetics and Piezoelectrics down 2D Limit from Non van der Waals Antiferromagnetic LiNbO-Type FeTiO.
Yilv Guo, Yehui Zhang, Shuaihua Lu, Xiwen Zhang, Qionghua Zhou

J Phys Chem Lett· March 2022

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Accelerated design of promising mixed lead-free double halide organic-inorganic perovskites for photovoltaics using machine learning.
Yilei Wu, Shuaihua Lu, Ming-Gang Ju, Qionghua Zhou, Jinlan Wang

Nanoscale· July 2021

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LncRNA HOTTIP leads to osteoarthritis progression via regulating miR-663a/ Fyn-related kinase axis.
Xianwei He, Kun Gao, Shuaihua Lu, Rongbo Wu

BMC Musculoskelet Disord· January 2021

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Perspective on theoretical methods and modeling relating to electro-catalysis processes.
Qiang Li, Yixin Ouyang, Shuaihua Lu, Xiaowan Bai, Yehui Zhang

Chem Commun (Camb)· August 2020

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Coupling a Crystal Graph Multilayer Descriptor to Active Learning for Rapid Discovery of 2D Ferromagnetic Semiconductors/Half-Metals/Metals.
Shuaihua Lu, Qionghua Zhou, Yilv Guo, Yehui Zhang, Yilei Wu

Adv Mater· July 2020

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Property-Oriented Material Design Based on a Data-Driven Machine Learning Technique.
Qionghua Zhou, Shuaihua Lu, Yilei Wu, Jinlan Wang

J Phys Chem Lett· May 2020

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Magnetism and hybrid improper ferroelectricity in LaMO/YMO superlattices.
Pengxia Zhou, Shuaihua Lu, Chuanfu Li, Chonggui Zhong, Zhiyun Zhao

Phys Chem Chem Phys· September 2019

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Accelerated discovery of stable lead-free hybrid organic-inorganic perovskites via machine learning.
Shuaihua Lu, Qionghua Zhou, Yixin Ouyang, Yilv Guo, Qiang Li

Nat Commun· August 2018

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