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Theoretical and Computational Chemistry

Working Paper

Machine Learning Based Density Functional Method for Chemical Reactions I: Organic Reactions

Jin Xiao, Yingfeng Zhang, Bowen Li, Han Wang, John Z.H. Zhang, Tong Zhu

Version 2 posted 26 December 2024

277

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Theoretical and Computational Chemistry

Working Paper

ReacNetGenerator: an Automatic Reaction Network Generator for Reactive Molecular Dynamic Simulations

Jinzhe Zeng, Liqun Cao, John ZH Zhang, Chih-Hao Chin, Tong Zhu

Version 3 posted 19 August 2019

1,851

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Theoretical and Computational Chemistry

Working Paper

Explore the Chemical Space of Linear Alkanes Pyrolysis via Deep Potential Generator

Jinzhe Zeng, Linfeng Zhang, Han Wang, Tong Zhu

Version 1 posted 10 September 2020

1,528

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Theoretical and Computational Chemistry

Working Paper

Formation Mechanism of a Nonterrestrial C6H Radical: An Ab Initio/RRKM Study on the Reaction of Tetracarbon with Acetylene

Tong Zhu, Chih-Hao Chin, John ZH Zhang

Version 1 posted 04 February 2019

809

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Organic Chemistry

Working Paper

Inherently Chiral Calixarenes from Catalytic Enantioselective Transannular Arene-Arene Cross-Coupling Reaction

Xin Zhang, Shuo Tong, Jieping Zhu, Mei-Xiang Wang

Version 1 posted 01 November 2022

369

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Theoretical and Computational Chemistry

Working Paper

Combustion Driven by Fragment-based Ab Initio Molecular Dynamics Simulation

Liqun Cao, Jinzhe Zeng, Mingyuan Xu, Chih-Hao Chin, Tong Zhu, John ZH Zhang

Version 1 posted 31 December 2019

520

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Theoretical and Computational Chemistry

Working Paper

Ab Initio Molecular Dynamics Simulation of Zinc metalloproteins with Enhanced Self-Organizing Incremental High Dimensional Neural Network

Mingyuan Xu, Tong Zhu, John ZH Zhang

Version 1 posted 16 November 2020

667

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Polymer Science

Working Paper

Stochastic Simulation of Controlled Radical Polymerization of Den-dritic Hyperbranched Polymers

Masatoshi Tosaka, Hinako Takeuchi, Masato Kibune, Tianxiang Tong, Nanyi Zhu, Shigeru Yamago

Version 1 posted 29 March 2023

153

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Theoretical and Computational Chemistry

Working Paper

Extensive Evaluation of Force Fields for G-Quadruplexes

Na Li, Tong Zhu

Version 1 posted 05 April 2021

512

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Theoretical and Computational Chemistry

Working Paper

Theoretical Investigations of Photoionization Efficiency of Naphthalene

Chih-Hao Chin, Tong Zhu, John ZH Zhang

Version 1 posted 04 February 2019

746

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1

Citations

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21 results in tong zhu in Authors: tong zhu

Machine Learning Based Density Functional Method for Chemical Reactions I: Organic Reactions

ReacNetGenerator: an Automatic Reaction Network Generator for Reactive Molecular Dynamic Simulations

Explore the Chemical Space of Linear Alkanes Pyrolysis via Deep Potential Generator

Formation Mechanism of a Nonterrestrial C6H Radical: An Ab Initio/RRKM Study on the Reaction of Tetracarbon with Acetylene

Inherently Chiral Calixarenes from Catalytic Enantioselective Transannular Arene-Arene Cross-Coupling Reaction

Combustion Driven by Fragment-based Ab Initio Molecular Dynamics Simulation

Ab Initio Molecular Dynamics Simulation of Zinc metalloproteins with Enhanced Self-Organizing Incremental High Dimensional Neural Network

Stochastic Simulation of Controlled Radical Polymerization of Den-dritic Hyperbranched Polymers

Extensive Evaluation of Force Fields for G-Quadruplexes

Theoretical Investigations of Photoionization Efficiency of Naphthalene

21 results in Authors: tong zhu