Yuezhi Mao
Stanford University
H-index: 23
North America-United States
Top articles of Yuezhi Mao
Environmentally Driven Symmetry Breaking Quenches Dual Fluorescence in Proflavine
The Journal of Physical Chemistry Letters
2024/4/22
Yuezhi Mao
H-Index: 14
Tim J Zuehlsdorff
H-Index: 10
Training machine learning potentials for reactive systems: A Colab tutorial on basic models
Journal of Computational Chemistry
2024
Sulfonate group improves the solubility and electrocatalytic performance of Ru-based bda-and pda-type water oxidation catalysts under neutral conditions
2024/3/18
Yuezhi Mao
H-Index: 14
Free Energy Profile Decomposition Analysis for QM/MM Simulations of Enzymatic Reactions
Journal of Chemical Theory and Computation
2023/8/25
Jingzhi Pu
H-Index: 15
Yuezhi Mao
H-Index: 14
Elucidating the role of hydrogen bonding in the optical spectroscopy of the solvated green fluorescent protein chromophore: Using machine learning to establish the importance …
The Journal of Physical Chemistry Letters
2023/7/17
Yuezhi Mao
H-Index: 14
Prachi Gupta
H-Index: 3
Andrés Montoya-Castillo
H-Index: 9
Tim J Zuehlsdorff
H-Index: 10
Force Decomposition Analysis: A method to decompose intermolecular forces into physically relevant component contributions
The Journal of Physical Chemistry A
2023/2/8
SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials
Scientific Data
2023/1/4
Pavan Kumar Behara
H-Index: 3
Yuezhi Mao
H-Index: 14
Machine learning based implicit solvent model for aqueous-solution alanine dipeptide molecular dynamics simulations
RSC advances
2023
Yuezhi Mao
H-Index: 14
Jingzhi Pu
H-Index: 15
Analytic high-order energy derivatives for metal nanoparticle-mediated infrared and Raman scattering spectra within the framework of quantum mechanics/molecular mechanics model …
The Journal of Chemical Physics
2022/1/24
Zheng Pei
H-Index: 1
Yuezhi Mao
H-Index: 14
Computational investigation of substituent effects on the fluorescence wavelengths of oxyluciferin analogs
Journal of Photochemistry and Photobiology A: Chemistry
2022/10/1
Yuezhi Mao
H-Index: 14
Chongzhao Ran
H-Index: 19
A two-directional vibrational probe reveals different electric field orientations in solution and an enzyme active site
Nature chemistry
2022/8
Solvent Organization and Electrostatics Tuned by Solute Electronic Structure: Amide versus Non-Amide Carbonyls
The Journal of Physical Chemistry B
2022/7/28
Evaluation of molecular photophysical and photochemical properties using linear response time-dependent density functional theory with classical embedding: Successes and challenges
The Journal of Chemical Physics
2022/6/7
Zheng Pei
H-Index: 1
Yuezhi Mao
H-Index: 14
Relativistic Orbital-Optimized Density Functional Theory for Accurate Core-Level Spectroscopy
The Journal of Physical Chemistry Letters
2022/4/12
Cavity quantum-electrodynamical time-dependent density functional theory within Gaussian atomic basis. II. Analytic energy gradient
The Journal of Chemical Physics
2022/3/28
Correction: Analysis and visualization of energy densities. I. Insights from real-time time-dependent density functional theory simulations
Physical Chemistry Chemical Physics
2021/4/15
Junjie Yang
H-Index: 2
Zheng Pei
H-Index: 1
Yuezhi Mao
H-Index: 14
Zhibo Yang
H-Index: 6
Bin Wang
H-Index: 82
Elucidating the electronic structure of a delayed fluorescence emitter via orbital interactions, excitation energy components, charge-transfer numbers, and vibrational …
The journal of physical chemistry letters
2021/3/11
Zheng Pei
H-Index: 1
Qi Ou
H-Index: 2
Yuezhi Mao
H-Index: 14
Junjie Yang
H-Index: 2
Felix Plasser
H-Index: 32
From Intermolecular Interaction Energies and Observable Shifts to Component Contributions and Back Again: A Tale of Variational Energy Decomposition Analysis
2021/4/20
Consistent inclusion of continuum solvation in energy decomposition analysis: theory and application to molecular CO2 reduction catalysts
Chemical science
2021
A non-perturbative pairwise-additive analysis of charge transfer contributions to intermolecular interaction energies
Physical Chemistry Chemical Physics
2021
Srimukh Prasad Veccham
H-Index: 4
Joonho Lee
H-Index: 15
Yuezhi Mao
H-Index: 14
Martin Head-Gordon
H-Index: 72
