Jingzhi Pu, Ph.D.

Affiliations: 
1999-2005 University of Minnesota, Twin Cities, Minneapolis, MN 
 2005-2010 Harvard University, Cambridge, MA, United States 
 2010- Indiana University - Purdue University Indianapolis, Indianapolis, IN, United States 
Area:
Theoretical and Computational Chemistry
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"Jingzhi Pu"
Mean distance: 9.37
 
SNBCP

Parents

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Donald G. Truhlar grad student 1999-2004 UMN
 (Chemical reaction dynamics and potential energy surfaces for hydrogen transfer reactions and large systems.)
Jiali Gao post-doc 2004-2005 UMN
Martin Karplus post-doc 2005-2010 Harvard
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Publications

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Hwang W, Austin SL, Blondel A, et al. (2024) CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed. The Journal of Physical Chemistry. B
Hati S, Yang X, Gupta P, et al. (2023) Hybrid Metal-Ligand Interfacial Dipole Engineering of Functional Plasmonic Nanostructures for Extraordinary Responses of Optoelectronic Properties. Acs Nano
Snyder R, Kim B, Pan X, et al. (2023) Bridging semiempirical and ab initio QM/MM potentials by Gaussian process regression and its sparse variants for free energy simulation. The Journal of Chemical Physics. 159
Hege M, Li L, Pu J. (2023) Revealing intrinsic changes of DNA induced by spore photoproduct lesion through computer simulation. Biophysical Chemistry. 296: 106992
Yao S, Van R, Pan X, et al. (2023) Machine learning based implicit solvent model for aqueous-solution alanine dipeptide molecular dynamics simulations. Rsc Advances. 13: 4565-4577
Hege M, Li L, Pu J. (2023) Revealing Intrinsic Changes of DNA Induced by Spore Photoproduct Lesion through Computer Simulation Biophysical Chemistry. 296: 106992
Snyder R, Kim B, Pan X, et al. (2022) Facilitating QM/MM free energy simulations by Gaussian process regression with derivative observations. Physical Chemistry Chemical Physics : Pccp
Pan X, Van R, Epifanovsky E, et al. (2022) Accelerating 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
Pu J. (2022) Accelerating ab initio QM/MM Molecular Dynamics Simulations with Multiple Time Step Integration and a Recalibrated Semiempirical QM/MM Hamiltonian J. Phys. Chem. B. 126: 4226-4235
Kim B, Shao Y, Pu J. (2021) Doubly Polarized QM/MM with Machine Learning Chaperone Polarizability. Journal of Chemical Theory and Computation. 17: 7682-7695
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