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Total Synthesis and Chemoproteomics Connect Curcusone Diterpenes with Oncogenic Protein BRAT1

Chengsen Cui, Brendan G. Dwyer, Chang Liu, Daniel Abegg, Zhongjian Cai, Dominic Hoch, Xianglin Yin, Nan Qiu, Jieqing Liu, Alexander Adibekian, Mingji Dai

Version 1 posted 23 November 2020

938

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Polymer Science

Working Paper

Harnessing DFT and Machine Learning for Accurate Optical Gap Prediction in Conjugated Polymers

Bin Liu, Yunrui Yan, Mingjie Liu

Version 1 posted 19 August 2024

167

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Organic Chemistry

Working Paper

A Broad-Spectrum, Catalytic Amidation of Sulfonyl Fluorides and Fluorosulfates

Mingjie Wei, Dacheng Liang, Xiaohui Cao, Luo Wenjun, Guojian Ma, Zeyuan Liu, Le Li

Version 1 posted 19 October 2020

1,227

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Catalysis

Working Paper

A Physical Model for Understanding the Activation of MoS2 Basalplane Sulfur Atoms for the Hydrogen Evolution Reaction

Qin Wu, Mingjie Liu, Mark S. Hybertsen

Version 1 posted 03 March 2020

654

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Theoretical and Computational Chemistry

Working Paper

Transferable Machine Learning Interatomic Potential for Carbon Hydrogen Systems

Somayeh Faraji, Mingjie Liu

Version 1 posted 07 June 2024

244

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Catalysis

Working Paper

Computational Discovery of Codoped Single-Atom Catalysts for Methane-to-Methanol Conversion

Haojun Jia, Chenru Duan, Ilia Kevlishvili, Aditya Nandy, Mingjie Liu, Heather Kulik

Version 1 posted 17 November 2023

360

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Theoretical and Computational Chemistry

Working Paper

Mapping Structure-Property Relationships in Fullerene Systems: A Computational Study from C20 to C60

Bin Liu, Jirui Jin, Mingjie Liu

Version 1 posted 13 March 2024

459

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Theoretical and Computational Chemistry

Working Paper

Comparative Analysis of Conventional Machine Learning and Graph Neural Network Models for Perovskite Property Prediction

Jirui Jin, Somayeh Faraji, Bin Liu, Mingjie Liu

Version 1 posted 13 May 2024

251

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Catalysis

Working Paper

Understanding the Role of Geometric and Electronic Structure in Bioinspired Catalyst Design: the Case of Formate Dehydrogenase

Mingjie Liu, Azadeh Nazemi, Michael Taylor, Aditya Nandy, Chenru Duan, Adam Steeves, Heather Kulik

Version 1 posted 30 September 2021

383

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9 results in Mingjie Liu in Authors: Mingjie Liu

Total Synthesis and Chemoproteomics Connect Curcusone Diterpenes with Oncogenic Protein BRAT1

Harnessing DFT and Machine Learning for Accurate Optical Gap Prediction in Conjugated Polymers

A Broad-Spectrum, Catalytic Amidation of Sulfonyl Fluorides and Fluorosulfates

A Physical Model for Understanding the Activation of MoS2 Basalplane Sulfur Atoms for the Hydrogen Evolution Reaction

Transferable Machine Learning Interatomic Potential for Carbon Hydrogen Systems

Computational Discovery of Codoped Single-Atom Catalysts for Methane-to-Methanol Conversion

Mapping Structure-Property Relationships in Fullerene Systems: A Computational Study from C20 to C60

Comparative Analysis of Conventional Machine Learning and Graph Neural Network Models for Perovskite Property Prediction

Understanding the Role of Geometric and Electronic Structure in Bioinspired Catalyst Design: the Case of Formate Dehydrogenase

9 results in Authors: Mingjie Liu