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 ChemistryGoogle:
"Jingzhi Pu"Mean distance: 9.37 | S | N | B | C | P |
Parents
Sign in to add mentorDonald 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 |