Yuezhi Mao, Ph.D.
Affiliations: | 2018- | Chemistry | Stanford University, Palo Alto, CA |
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"Yuezhi Mao"Parents
Sign in to add mentor| Martin Head-Gordon | grad student | 2012-2017 | UC Berkeley |
| Thomas E. Markland | post-doc | 2018- | Stanford |
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Publications
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| Zheng C, Mao Y, Markland TE, et al. (2025) Beyond the Vibrational Stark Effect: Unraveling the Large Redshifts of Alkyne C-H Bond in Solvation Environments. Journal of the American Chemical Society |
| Pan X, Snyder R, Wang JN, et al. (2023) Training machine learning potentials for reactive systems: A Colab tutorial on basic models. Journal of Computational Chemistry |
| Pan X, Van R, Pu J, et al. (2023) Free Energy Profile Decomposition Analysis for QM/MM Simulations of Enzymatic Reactions. Journal of Chemical Theory and Computation |
| Chen MS, Mao Y, Snider A, et al. (2023) Elucidating the Role of Hydrogen Bonding in the Optical Spectroscopy of the Solvated Green Fluorescent Protein Chromophore: Using Machine Learning to Establish the Importance of High-Level Electronic Structure. The Journal of Physical Chemistry Letters. 6610-6619 |
| 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 |
| Aldossary A, Gimferrer M, Mao Y, et al. (2023) Force Decomposition Analysis: A Method to Decompose Intermolecular Forces into Physically Relevant Component Contributions. The Journal of Physical Chemistry. A |
| Eastman P, Behara PK, Dotson DL, et al. (2023) SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials. Scientific Data. 10: 11 |
| Satalkar V, Benassi E, Mao Y, et al. (2022) Computational Investigation of Substituent Effects on the Fluorescence Wavelengths of Oxyluciferin Analogs. Journal of Photochemistry and Photobiology. a, Chemistry. 431 |
| Pei Z, Mao Y, Shao Y, et al. (2022) Analytic high-order energy derivatives for metal nanoparticle-mediated infrared and Raman scattering spectra within the framework of quantum mechanics/molecular mechanics model with induced charges and dipoles. The Journal of Chemical Physics. 157: 164110 |
| Fried SDE, Zheng C, Mao Y, et al. (2022) Solvent Organization and Electrostatics Tuned by Solute Electronic Structure: Amide versus Non-Amide Carbonyls. The Journal of Physical Chemistry. B. 126: 5876-5886 |