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Theoretical and Computational Chemistry

Working Paper

PASSer2.0: Accurate Prediction of Protein Allosteric Sites Through Automated Machine Learning

Sian Xiao, Hao Tian, Peng Tao

Version 2 posted 09 November 2021

546

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1

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Materials Science

Working Paper

Heavy-Atom Effect Promotes Multi-Resonance Thermally Activated Delayed Fluorescence

Tao Hua, Lisi Zhan, Nengquan Li, Zhongyan Huang, Xiaosong Cao, Zhengqi Xiao, Shaolong Gong, Changjiang Zhou, Cheng Zhong, Chuluo Yang

Version 1 posted 18 February 2021

982

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3

Citations

Catalysis

Working Paper

One-Dimensional TiO2@GaON Core-Shell Nanowires with Controlled Shell Thickness from Atomic Layer Deposition for Stable and Efficient Photoelectrochemical Water Splitting

Jiajia Tao, Hong-Ping Ma, Kaiping Yuan, Yang Gu, Jianwei Lian, Xiao-Xi Li, Wei Huang, Michael Nolan, hongliang lu, david wei zhang

Version 1 posted 02 August 2019

553

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Energy

Working Paper

Enhanced Densification and Conduction Properties of Li5+xLa3Nb2-xZrxO12 Garnet Solid-State Electrolytes Through Zn Doping on the Nb/Zr Site

Bo Dong, Linhao Li, Xiao Tao, Mark P. Stockham, Chuan Li, Yongliang Li, Yulong Ding, Peter Slater

Version 1 posted 08 June 2020

407

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Catalysis

Working Paper

Interfacial Hydroxyl Promotes the Reduction of 4 Nitrophenol by Ag-Based Catalysts Confined in Dendritic Mesoporous Silica Nanospheres

Xiao-Dan Hu, Bingqian Shan, Ran Tao, Taiqun Yang, Kun Zhang

Version 1 posted 27 November 2020

356

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Materials Science

Working Paper

Enhancing Li-ion Transport in Solid Electrolytes by Confined Water

Yutong Li, Shitong Wang, Jin Leng, Zunqiu Xiao, Zhongtai Zhang, Tao Gao, Zilong Tang

Version 1 posted 30 March 2022

263

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Theoretical and Computational Chemistry

Working Paper

Assessments of Variational Autoencoder in Protein Conformation Exploration

Sian Xiao, Zilin Song, Hao Tian, Peng Tao

Version 1 posted 27 October 2022

306

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Explore protein conformational space with variational autoencoder

Hao Tian, Xi Jiang, Francesco Trozzi, Sian Xiao, Eric Larson, Peng Tao

Version 1 posted 23 September 2021

251

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Energy

Working Paper

Predicting Propellant Properties of Boron-Based Hypergolic Ionic Liquids via Machine Learning

Yang Xiao, Hang-Cheng Dong, Tieyong Zeng, Tinghao Ma, Feng-Lei Fan, Deng-Tao Yang

Version 1 posted 21 October 2022

291

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Theoretical and Computational Chemistry

Working Paper

Chemistry of Cyclo-[2n]-Carbon: A Many-Particle Quantum Mechanics Investigation

Xi Chen, Xueyuan Yan, Zihan Liu, Tao Yuan, Caijie Bu, Yunlong Shang, Han Xiao, Yong Wu, Haiyan Wei, Jiawei Xu

Version 2 posted 08 November 2023

210

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Refine Search

11 results in Xiao Tao in Authors: Xiao Tao

PASSer2.0: Accurate Prediction of Protein Allosteric Sites Through Automated Machine Learning

Heavy-Atom Effect Promotes Multi-Resonance Thermally Activated Delayed Fluorescence

One-Dimensional TiO2@GaON Core-Shell Nanowires with Controlled Shell Thickness from Atomic Layer Deposition for Stable and Efficient Photoelectrochemical Water Splitting

Enhanced Densification and Conduction Properties of Li5+xLa3Nb2-xZrxO12 Garnet Solid-State Electrolytes Through Zn Doping on the Nb/Zr Site

Interfacial Hydroxyl Promotes the Reduction of 4 Nitrophenol by Ag-Based Catalysts Confined in Dendritic Mesoporous Silica Nanospheres

Enhancing Li-ion Transport in Solid Electrolytes by Confined Water

Assessments of Variational Autoencoder in Protein Conformation Exploration

Explore protein conformational space with variational autoencoder

Predicting Propellant Properties of Boron-Based Hypergolic Ionic Liquids via Machine Learning

Chemistry of Cyclo-[2n]-Carbon: A Many-Particle Quantum Mechanics Investigation

11 results in Authors: Xiao Tao