Jingzhi Pu

ORCID

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 11

Top Venues

Journal of chemical theory and computation

RSC advances

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. B

Indiana University – Purdue University Indianapolis

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

Affiliation History

Indiana University – Purdue University Indianapolis Aug 1o 2010

United States

Associate Professor :: Department of Chemistry and Chemical Biology

Publications

Songyuan Yao, Richard Van, Xiaoliang Pan, Ji Hwan Park, Yuezhi Mao, Jingzhi Pu, Ye Mei, Yihan Shao
Machine learning based implicit solvent model for aqueous-solution alanine dipeptide molecular dynamics simulations. RSC advances 13 (7) (2023)
Xiaoliang Pan, Richard Van, Jingzhi Pu, Kwangho Nam, Yuezhi Mao, Yihan Shao
Free Energy Profile Decomposition Analysis for QM/MM Simulations of Enzymatic Reactions. Journal of chemical theory and computation (2023)
Songyuan Yao, Richard Van, Xiaoliang Pan, Ji Hwan Park, Yuezhi Mao, Jingzhi Pu, Ye Mei, Yihan Shao
Machine learning based implicit solvent model for aqueous-solution alanine dipeptide molecular dynamics simulations. RSC advances 13 (7) (2023)
Songyuan Yao, Richard Van, Xiaoliang Pan, Ji Hwan Park, Yuezhi Mao, Jingzhi Pu, Ye Mei, Yihan Shao
Machine learning based implicit solvent model for aqueous-solution alanine dipeptide molecular dynamics simulations. RSC advances 13 (7) (2023)
Sumon Hati, Xuehui Yang, Prashant Gupta, Barry B Muhoberac, Jingzhi Pu, Jing Zhang, Dhiraj K Sardar
Hybrid Metal-Ligand Interfacial Dipole Engineering of Functional Plasmonic Nanostructures for Extraordinary Responses of Optoelectronic Properties. ACS nano (2023)
Xiaoliang Pan, Richard Van, Evgeny Epifanovsky, Jian Liu, Jingzhi Pu, Kwangho Nam, Yihan Shao
Accelerating Ab Initio Quantum Mechanical and Molecular Mechanical (QM/MM) Molecular Dynamics Simulations with Multiple Time Step Integration and a Recalibrated Semiempirical QM/MM Hamiltonian. The journal of physical chemistry. B (2022)
Ryan Snyder, Bryant Kim, Xiaoliang Pan, Yihan Shao, Jingzhi Pu
Facilitating ab initio QM/MM free energy simulations by Gaussian process regression with derivative observations. Physical chemistry chemical physics : PCCP 24 (41) (2022)
Bryant Kim, Ryan Snyder, Mulpuri Nagaraju, Yan Zhou, Pedro Ojeda-May, Seth Keeton, Mellisa Hege, Yihan Shao, Jingzhi Pu
Reaction Path-Force Matching in Collective Variables: Determining Ab Initio QM/MM Free Energy Profiles by Fitting Mean Force. Journal of chemical theory and computation 17 (8) (2021)
Xiaoliang Pan, Junjie Yang, Richard Van, Evgeny Epifanovsky, Junming Ho, Jing Huang, Jingzhi Pu, Ye Mei, Kwangho Nam, Yihan Shao
Machine-Learning-Assisted Free Energy Simulation of Solution-Phase and Enzyme Reactions. Journal of chemical theory and computation 17 (9) (2021)
Bryant Kim, Yihan Shao, Jingzhi Pu
Doubly Polarized QM/MM with Machine Learning Chaperone Polarizability. Journal of chemical theory and computation (2021)
Yan Zhou, Pedro Ojeda-May, Mulpuri Nagaraju, Bryant Kim, Jingzhi Pu
Mapping Free Energy Pathways for ATP Hydrolysis in the E. coli ABC Transporter HlyB by the String Method. Molecules (Basel, Switzerland) 23 (10) (2018)

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Publication Activity (10 Years)

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Jingzhi Pu