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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

616

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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

403

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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

591

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6

Citations

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

330

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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

783

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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

3,242

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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

337

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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

1,076

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1

Citations

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

220

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Chemical Engineering and Industrial Chemistry

Working Paper

Fabrication of superhydrophilic membranes for oil-water separation: A life cycle assessment study

Dixit V Bhalani, Qian Zhang, Yi Yang, Suresh Kumar Jewrajka, Junjie Shen

Version 1 posted 13 September 2024

64

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Refine Search

13 results in Junji Zhang in Authors: Junji Zhang

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

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

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

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

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

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

On the alternating structure of cyclo[18]carbon

Fabrication of superhydrophilic membranes for oil-water separation: A life cycle assessment study

13 results in Authors: Junji Zhang