Qiyuan Zhao

ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 15

Top Venues

Scientific data

Chemical science

Journal of chemical information and modeling

The journal of physical chemistry. A

Purdue University

Shanghai Jiao Tong University (BSC)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Purdue University Aug 17 2018

United States

Research assistant :: Chemical Engineering

Education History

Shanghai Jiao Tong University Sep 13 2014 - Jul 08 2018

China

BSC :: Department of Physics

Publications

Sai Mahit Vadaddi, Qiyuan Zhao, Brett M Savoie
Graph to Activation Energy Models Easily Reach Irreducible Errors but Show Limited Transferability. The journal of physical chemistry. A (2024)
Tianfan Jin, Qiyuan Zhao, Andrew B Schofield, Brett M Savoie
Deductive machine learning models for product identification. Chemical science 15 (30) (2024)
Sai Mahit Vadaddi, Qiyuan Zhao, Brett M Savoie
Graph to Activation Energy Models Easily Reach Irreducible Errors but Show Limited Transferability. The journal of physical chemistry. A 128 (13) (2024)
Tianfan Jin, Qiyuan Zhao, Andrew B Schofield, Brett M Savoie
Deductive machine learning models for product identification. Chemical science 15 (30) (2024)
Qiyuan Zhao, Sai Mahit Vaddadi, Michael Woulfe, Lawal A Ogunfowora, Sanjay S Garimella, Olexandr Isayev, Brett M Savoie
Comprehensive exploration of graphically defined reaction spaces. Scientific data 10 (1) (2023)
Qiyuan Zhao, Dylan M Anstine, Oleksandr Isaev, Brett M Savoie
Δ 2 machine learning for reaction property prediction. Chemical science 14 (46) (2023)
Qiyuan Zhao, Sai Mahit Vaddadi, Michael Woulfe, Lawal A Ogunfowora, Sanjay S Garimella, Olexandr Isayev, Brett M Savoie
Comprehensive exploration of graphically defined reaction spaces. Scientific data 10 (1) (2023)
Qiyuan Zhao, Sai Mahit Vaddadi, Michael Woulfe, Lawal A Ogunfowora, Sanjay S Garimella, Olexandr Isayev, Brett M Savoie
Comprehensive exploration of graphically defined reaction spaces. Scientific data 10 (1) (2023)
Qiyuan Zhao, Sai Mahit Vaddadi, Michael Woulfe, Lawal A Ogunfowora, Sanjay S Garimella, Olexandr Isayev, Brett M Savoie
Comprehensive exploration of graphically defined reaction spaces. Scientific data 10 (1) (2023)
Qiyuan Zhao, Yinan Xu, Jeffrey P Greeley, Brett M Savoie
Deep reaction network exploration at a heterogeneous catalytic interface. Nature communications 13 (1) (2022)
Qiyuan Zhao, Brett M Savoie
Algorithmic Explorations of Unimolecular and Bimolecular Reaction Spaces. Angewandte Chemie (International ed. in English) 61 (46) (2022)
Qiyuan Zhao, Brett M Savoie
Simultaneously improving reaction coverage and computational cost in automated reaction prediction tasks. Nature computational science 1 (7) (2021)
Qiyuan Zhao, Nicolae C Iovanac, Brett M Savoie
Transferable Ring Corrections for Predicting Enthalpy of Formation of Cyclic Compounds. Journal of chemical information and modeling 61 (6) (2021)
Bumjoon Seo, Zih-Yu Lin, Qiyuan Zhao, Michael A Webb, Brett M Savoie
Topology Automated Force-Field Interactions (TAFFI): A Framework for Developing Transferable Force Fields. Journal of chemical information and modeling 61 (10) (2021)
Qiyuan Zhao, Jiuyang Liang, Zhenli Xu
Harmonic surface mapping algorithm for fast electrostatic sums. The Journal of chemical physics 149 (8) (2018)

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Publication Activity (10 Years)

Top Topics

Top Venues

Qiyuan Zhao