Jiali Gao

Publication Activity (10 Years)

Years Active: 1996-2024
Publications (10 Years): 4

Top Topics

Detecting Anomalies

Standard Machine Learning Algorithms

Quality Improvement

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Comput. Ind. Eng.

Publications

Chenguang Ma, Di Wang, Kai Zhao, Jiali Gao, Heng Wang, Aoming Zhang, Lang Cheng, Yingjie Zhang
Layer-wise surface quality improvement in laser powder bed fusion through surface anomaly detection and control. Comput. Ind. Eng. 191 (2024)
Na Hu, Jiali Gao
Research on Diabetes Prediction Model Based on Machine Learning Algorithms. CIPAE (2023)
Lin Ji, Yue Li, Jie Wang, An Ning, Naixin Zhang, Shengyao Liang, Jiyun He, Tianyu Zhang, Zexing Qu, Jiali Gao
Community Reaction Network Reduction for Constructing a Coarse-Grained Representation of Combustion Reaction Mechanisms. J. Chem. Inf. Model. 62 (10) (2022)
Xin Chen, Zexing Qu, Bingbing Suo, Jiali Gao
A self-consistent coulomb bath model using density fitting. J. Comput. Chem. 41 (18) (2020)
Peng Zhang, Peng Bao, Jiali Gao
Dipole preserving and polarization consistent charges. J. Comput. Chem. 32 (10) (2011)
Ramkumar Rajamani, Yen-Lin Lin, Jiali Gao
The opsin shift and mechanism of spectral tuning in rhodopsin. J. Comput. Chem. 32 (5) (2011)
Bernard R. Brooks, Charles L. Brooks III, Alexander D. MacKerell Jr., Lennart Nilsson, Robert J. Petrella, Benoît Roux, Y. Won, G. Archontis, Christian Bartels, Stefan Boresch, Amedeo Caflisch, Leo S. D. Caves, Qiang Cui, Aaron R. Dinner, Michael Feig, S. Fischer, Jiali Gao, Milan Hodoscek, Wonpil Im, Krzysztof Kuczera, Themis Lazaridis, J. Ma, V. Ovchinnikov, Emanuele Paci, Richard W. Pastor, C. B. Post, J. Z. Pu, Michael Schaefer, Bruce Tidor, Richard M. Venable, H. Lee Woodcock III, X. Wu, W. Yang, Darrin M. York, Martin Karplus
CHARMM: The biomolecular simulation program. J. Comput. Chem. 30 (10) (2009)
Jiali Gao, Kin-Yiu Wong, Dan Thomas Major
Combined QM/MM and path integral simulations of kinetic isotope effects in the proton transfer reaction between nitroethane and acetate ion in water. J. Comput. Chem. 29 (4) (2007)
Ramkumar Rajamani, Kevin J. Naidoo, Jiali Gao
Implementation of an adaptive umbrella sampling method for the calculation of multidimensional potential of mean force of chemical reactions in solution. J. Comput. Chem. 24 (14) (2003)
Mireia Garcia-Viloca, Cristóbal Alhambra, Donald G. Truhlar, Jiali Gao
Hydride transfer catalyzed by xylose isomerase: Mechanism and quantum effects. J. Comput. Chem. 24 (2) (2003)
Ramkumar Rajamani, Jiali Gao
Combined QM/MM study of the opsin shift in bacteriorhodopsin. J. Comput. Chem. 23 (1) (2002)
Yirong Mo, Jiali Gao
Ab initio QM/MM simulations with a molecular orbital-valence bond (MOVB) method: application to an SN2 reaction in water. J. Comput. Chem. 21 (16) (2000)
Cristóbal Alhambra, Jiali Gao
Hydrogen-bonding interactions in the active site of a low molecular weight protein-tyrosine phosphatase. J. Comput. Chem. 21 (13) (2000)
Jiali Gao
Energy components of aqueous solution: Insight from hybrid QM/MM simulations using a polarizable solvent model. J. Comput. Chem. 18 (8) (1997)
Joseph J. Pavelites, Jiali Gao, Paul A. Bash, Alexander D. MacKerell Jr.
A molecular mechanics force field for NAD+ NADH, and the pyrophosphate groups of nucleotides. J. Comput. Chem. 18 (2) (1997)
Marek Freindorf, Jiali Gao
Optimization of the Lennard-Jones parameters for a combined ab initio quantum mechanical and molecular mechanical potential using the 3-21G basis set. J. Comput. Chem. 17 (4) (1996)