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Materials Chemistry

Review

Towards predictive design of electrolyte solutions by accelerating ab initio simulation with neural networks.

Junji Zhang, Joshua Pagotto, Timothy Duignan

Version 1 posted 02 August 2022

531

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Theoretical and Computational Chemistry

Working Paper

On the alternating structure of cyclo[18]carbon

Jing-Xuan Zhang, Junjie Yang, Fu Kit Sheong

Version 1 posted 28 March 2022

177

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Organic Chemistry

Working Paper

General, Straightforward, and Atom-Economical Synthesis of Vinyl Triflimides

Lei Hao, Qianwen Pan, Congdi Zhang, Sen Wang, Weilin Wang, Junjie Zhang, Lu Bai, Youliang Wang

Version 1 posted 11 June 2021

305

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Biological and Medicinal Chemistry

Working Paper

A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Prediction: New Opportunities and Challenges for Drug Discovery

Zhixiong Lin, Junjie Zou, Chunwang Peng, Shuai Liu, Zhipeng Li, Xiao Wan, Dong Fang, Jian Yin, Gianpaolo Gobbo, Yongpan Chen, Jian Ma, Shuhao Wen, Peiyu Zhang, Mingjun Yang

Version 1 posted 16 October 2020

978

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Holistic Prediction of Nucleophilicity and Electrophilicity Based on a Machine Learning Approach

Yidi Liu, Qi Yang, Junjie Cheng, Long Zhang, Sanzhong Luo, Jin-Pei Cheng

Version 1 posted 12 January 2023

610

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Polymer Science

Working Paper

Homo- and Hetero-Recyclable Polyesters with High Refractive Index from CO2, 1,3-Butadiene and Thiols

Zhuorui Zhang, Ting Shen, Kaihao Chen, Junjie Zeng, Jun Ling, Xufeng Ni

Version 2 posted 22 November 2023

290

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1

Citations

Physical Chemistry

Working Paper

Predicting the properties of salt water using neural network potentials and continuum solvent theory

Joshua Pagotto, Junji Zhang, Timothy Duignan

Version 1 posted 09 June 2022

458

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4

Citations

Theoretical and Computational Chemistry

Working Paper

Development and Comprehensive Benchmark of a High Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation

Bai Xue, Qingyi Yang, Qiaochu Zhang, Xiao Wan, Dong Fang, Xiaolu Lin, Guangxu Sun, Gianpaolo Gobbo, Fenglei Cao, Alan Mathiowetz, Benjamin Burke, Robert Kumpf, Brajesh Rai, Geoffrey Wood, Frank Pickard, Junmei Wang, Peiyu Zhang, Jian Ma, Alan Jiang, Shuhao Wen, Xinjun Hou, Junjie Zou, Mingjun Yang

Version 3 posted 09 November 2023

891

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Materials Science

Working Paper

Laser-induced ultrafast spin injection in all-semiconductor magnetic CrI3/WSe2 heterobilayer

Yilv Guo, Yehui Zhang, Qinglong Liu, Zhaobo Zhou, Junjie He, Shijun Yuan, Thomas Heine, Jinlan Wang

Version 1 posted 09 January 2024

227

Downloads

Theoretical and Computational Chemistry

Working Paper

Computational Prediction of Mutational Effects on the SARS-CoV-2 Binding by Relative Free Energy Calculations

Junjie Zou, Jian Yin, Lei Fang, Mingjun Yang, Tianyuan Wang, Weikun Wu, Michael A. Bellucci, Peiyu Zhang

Version 4 posted 16 July 2020

3,129

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Refine Search

10 results in Junjie Zhang in Authors: Junjie Zhang

Towards predictive design of electrolyte solutions by accelerating ab initio simulation with neural networks.

On the alternating structure of cyclo[18]carbon

General, Straightforward, and Atom-Economical Synthesis of Vinyl Triflimides

A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Prediction: New Opportunities and Challenges for Drug Discovery

Holistic Prediction of Nucleophilicity and Electrophilicity Based on a Machine Learning Approach

Homo- and Hetero-Recyclable Polyesters with High Refractive Index from CO2, 1,3-Butadiene and Thiols

Predicting the properties of salt water using neural network potentials and continuum solvent theory

Development and Comprehensive Benchmark of a High Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation

Laser-induced ultrafast spin injection in all-semiconductor magnetic CrI3/WSe2 heterobilayer

Computational Prediction of Mutational Effects on the SARS-CoV-2 Binding by Relative Free Energy Calculations

10 results in Authors: Junjie Zhang