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Theoretical and Computational Chemistry

Working Paper

Accurate Electronic and Optical Properties of Organic Doublet Radicals Using Machine Learned Range-Separated Functionals

Cheng-Wei Ju, Yili Shen, Ethan French, Jun Yi, Hongshan Bi, Aaron Tian, Zhou Lin

Version 5 posted 12 February 2024

798

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Organic Chemistry

Working Paper

Iron Catalyzed Formal [3+2] Cycloaddition of Tetrahydroisoquinoline Affording Amide-bearing Dihydropyrrolo[2,1-a]isoquinolines

Si-Wei Liu, Dan-Dan Ma, Xin-Xin Zhu, Cheng-Dan Luo, Hui-Lin Tan, Xiao-Li Ju, Xue Tan, Xiao-Hui Tang, Jie Huang, Jia Wang, Xian-Xun Wang, Hai-Lei Cui

Version 1 posted 25 March 2020

500

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Materials Science

Working Paper

Machine Learning Enables Highly Accurate Predictions of Photophysical Properties of Organic Fluorescent Materials: Emission Wavelengths and Quantum Yields

Cheng-Wei Ju, Hanzhi Bai, Bo Li, Rizhang Liu

Version 3 posted 03 November 2020

2,899

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Physical Chemistry

Working Paper

Excited State Dynamics of Perylenediimide films with Isopropyl phenyl- and Undecane-Substitution

Qiu-Shi Ma, Cheng-Wei Ju, Ruihua Pu, Wenjie Zhang, Xian Lin, Yihan Chen, Weimin Liu

Version 2 posted 22 December 2020

1,214

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Physical Chemistry

Working Paper

Hot Carrier Transfer in graphene/PtSe2 Heterostructure Tuned by Built-in Electric Field

Qiushi Ma, Wenjie Zhang, Chunwei Wang, Ruihua Pu, Cheng-Wei Ju, Xian Lin, Zeyu Zhang, Weimin Liu, Ruxin Li

Version 1 posted 19 February 2021

451

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Materials Chemistry

Working Paper

Helical Molecular Springs under High Pressure

Jiaxu Liang, Cheng-Wei Ju, Wenhao Zheng, Manfred Wagner, Zijie Qiu, Tanja Weil, Klaus Müllen

Version 1 posted 15 December 2021

449

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Theoretical and Computational Chemistry

Working Paper

Stacked Ensemble Machine Learning for Range-Separation Parameters

Cheng-Wei Ju, Ethan French, Nadav Geva, Alexander Kohn, Zhou Lin

Version 2 posted 13 September 2021

555

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1

Citations

Polymer Science

Working Paper

Electronic Properties and Photocatalytic Hydrogen Evolution Rates for Alternating Conjugated Copolymers: Predictions and Insights by Data-Driven Models

Yuzhi Xu, Cheng-Wei Ju, Bo Li, Qiu-Shi Ma, Lianjie Zhang, Junwu Chen

Version 2 posted 20 November 2020

850

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Theoretical and Computational Chemistry

Working Paper

EnviroDetaNet: Pretrained E(3)-equivariant Message-Passing Neural Networks with Multi-Level Molecular Representations for Organic Molecule Spectra Prediction

Yuzhi Xu, Daqian Bian, Cheng-Wei Ju, Fanyu Zhao, Pujun Xie, Yuanqing Wang, Wei Hu, Zhenrong Sun, John Zhang, Tong Zhu

Version 1 posted 06 September 2024

253

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Refine Search

9 results in Cheng-Wei Ju in Authors: Cheng-Wei Ju

Accurate Electronic and Optical Properties of Organic Doublet Radicals Using Machine Learned Range-Separated Functionals

Iron Catalyzed Formal [3+2] Cycloaddition of Tetrahydroisoquinoline Affording Amide-bearing Dihydropyrrolo[2,1-a]isoquinolines

Machine Learning Enables Highly Accurate Predictions of Photophysical Properties of Organic Fluorescent Materials: Emission Wavelengths and Quantum Yields

Excited State Dynamics of Perylenediimide films with Isopropyl phenyl- and Undecane-Substitution

Hot Carrier Transfer in graphene/PtSe2 Heterostructure Tuned by Built-in Electric Field

Helical Molecular Springs under High Pressure

Stacked Ensemble Machine Learning for Range-Separation Parameters

Electronic Properties and Photocatalytic Hydrogen Evolution Rates for Alternating Conjugated Copolymers: Predictions and Insights by Data-Driven Models

EnviroDetaNet: Pretrained E(3)-equivariant Message-Passing Neural Networks with Multi-Level Molecular Representations for Organic Molecule Spectra Prediction

9 results in Authors: Cheng-Wei Ju