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Theoretical and Computational Chemistry

Working Paper

An Initial Design-enhanced Deep Learning-based Optimization Framework to Parameterize Multicomponent ReaxFF Force Fields

Mert Sengul, Yao Song, Nadire Nayir, Yawei Gao, Ying Hung, Tirthankar Dasgupta, Adri C.T. van Duin

Version 2 posted 22 June 2020

1,072

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2

Citations

Biological and Medicinal Chemistry

Working Paper

Spherical Neutralizing Aptamer Inhibits SARS-CoV-2 Infection

Miao Sun, Siwen Liu, Ting Song, Fude Chen, Jialu Zhang, Jiaao Huang, Shuang Wan, Yao Lu, Honglin Chen, Weihong Tan, Yanling Song, Chaoyong Yang

Version 1 posted 19 February 2021

615

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Nanoscience

Working Paper

Frank-van der Merwe Growth in Bilayer Graphene

Haozhe Wang, Zhenpeng Yao, Gang Seob Jung, Qichen Song, Marek Hempel, Tomas Palacios, Gang Chen, Markus J. Buehler, Alan Aspuru-Guzik, Jing Kong

Version 2 posted 11 August 2021

1,466

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Materials Science

Working Paper

Unraveling the Internal Structure of 3D Printed Stimuli-Responsive Materials Using a Molecular Probe

Xiaowo Kang, Weijun Wu, Yu Hu, Xindi Liu, Wenhui Wang, Qiao Song, Yu Xiong, Yinyin Bao, Lu Zhang, Bin Zhao, Hongyan Jiang, Mingxi Yao, Zhi Luo

Version 1 posted 26 October 2023

295

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1

Citations

Earth, Space, and Environmental Chemistry

Working Paper

Structure and Toxicity Characterization of Alkyl Hydroxylated Metabolites of 6PPD-Q

Pranav Nair, Holly Barrett, Kaylin Tanoto, Linna Xie, Jianxian Sun, Diwen Yang, Han Yao, Datong Song, Hui Peng

Version 1 posted 30 October 2024

224

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Materials Chemistry

Working Paper

A soft, adhesive self-healing naked-eye strain/stress visualization patch

Zhi Zhao, Junjie Liu, Mengfei Wu, Xuan Yao, Haibin Wang, Xuemei Liu, Zhibin He, Xiaoyan Song

Version 1 posted 31 July 2023

377

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Materials Science

Working Paper

Negative swelling hydrogel enabled by osmotic pressure induced dehydration

Zhi Zhao, Xuan Yao, Xiaotong Zheng, Yurong Li, Haibin Wang, Xuemei Liu, Tielong Han, Xiaoyan Song

Version 1 posted 05 December 2023

196

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Organic Chemistry

Working Paper

Counteranion-Controlled Chemodivergent Transfer-Hydrothiolation/Carbothiolation Utilizing Thioethers as Bifunctional Reagents

Zhen Wang, Hao-Dong Tan, Yao-Xin Wang, Qi Li, Xiao-Song Xue, Xiao-Hui Yang

Version 1 posted 27 March 2024

804

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Energy

Working Paper

Sensitivity analysis of kinetic, thermodynamic, and transport parameters in HMX (1,3,5,7- tetranitro-1,3,5,7-tetrazocane) combustion modeling

Jie-Yao Lyu, Qiren Zhu, Geng Xu, Fangmian Dong, Xin Wang, Song He, Xinyi Zhou, Yichen Zong, Markus Kraft, Yang Li, Wenming Yang

Version 1 posted 13 August 2024

205

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Materials Science

Working Paper

Highly Efficient Crystallization Studies through Machine Learning and Automation

Zi Li, Wenbo Fu, Bochen Li, Jia Yao, Jiuchuang Yuan, Michael Bellucci, Guangxu Sun, Zhengtian Song, Shi Liu, Zhu Lang, Jian Ma, Shuhao Wen, Qun Zeng

Version 2 posted 04 November 2024

658

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Refine Search

10 results in Yao Song in Authors: Yao Song

An Initial Design-enhanced Deep Learning-based Optimization Framework to Parameterize Multicomponent ReaxFF Force Fields

Spherical Neutralizing Aptamer Inhibits SARS-CoV-2 Infection

Frank-van der Merwe Growth in Bilayer Graphene

Unraveling the Internal Structure of 3D Printed Stimuli-Responsive Materials Using a Molecular Probe

Structure and Toxicity Characterization of Alkyl Hydroxylated Metabolites of 6PPD-Q

A soft, adhesive self-healing naked-eye strain/stress visualization patch

Negative swelling hydrogel enabled by osmotic pressure induced dehydration

Counteranion-Controlled Chemodivergent Transfer-Hydrothiolation/Carbothiolation Utilizing Thioethers as Bifunctional Reagents

Sensitivity analysis of kinetic, thermodynamic, and transport parameters in HMX (1,3,5,7- tetranitro-1,3,5,7-tetrazocane) combustion modeling

Highly Efficient Crystallization Studies through Machine Learning and Automation

10 results in Authors: Yao Song