Jiali Gao

22 papers Journal 20Unranked 2
YearRankTypeTitle / Venue / Authors
2026 J jnl
A Tri-Stage Cooperative Optimization Algorithm With Q-Learning Mechanism for the Multiobjective Distributed Flexible Job Shop Scheduling With Worker Factors.
IEEE Trans. Syst. Man Cybern. Syst.
Fuqing Zhao, Jiali Gao, Ling Wang, Hongyan Sang
2026 J jnl
LG-HoleNet: A lightweight graph neural network for through-hole recognition via differential geometric attributes.
Comput. Aided Geom. Des.
Taoran Liu, Jiali Gao, Xiaowen Liu, Hengyu Zhou, Hongfei Ye, Jianjun Chen
2025 J jnl
CPPCGM: A Highly Efficient Sequence-Based Tool for Simultaneously Identifying and Generating Cell-Penetrating Peptides.
J. Chem. Inf. Model.
Qiufen Chen, Yuewei Zhang, Jiali Gao, Jun Zhang
2025 J jnl
FilletRec: A Lightweight Graph Neural Network with Intrinsic Features for Automated Fillet Recognition.
CoRR
Jiali Gao, Taoran Liu, Hongfei Ye, Jianjun Chen
2025 J jnl
ReaxANA: Analysis of Reactive Dynamics Trajectories for Reaction Network Generation.
J. Chem. Inf. Model.
Hong Zhu, Xin Chen, Jiali Gao
2024 — conf
A Fractional-Order Recurrent Neural Network Model for Time-Variant Quadratic Programming in Robot Motion Planning.
AIM
Yi Yang, Puchen Zhu, Xuchen Wang, Weibing Li, Jiali Gao, Richard M. Voyles, Xin Ma
2024 J jnl
Layer-wise surface quality improvement in laser powder bed fusion through surface anomaly detection and control.
Comput. Ind. Eng.
Chenguang Ma, Di Wang, Kai Zhao, Jiali Gao, Heng Wang, Aoming Zhang, Lang Cheng, Yingjie Zhang
2023 — conf
Research on Diabetes Prediction Model Based on Machine Learning Algorithms.
CIPAE
Na Hu, Jiali Gao
2022 J jnl
Community Reaction Network Reduction for Constructing a Coarse-Grained Representation of Combustion Reaction Mechanisms.
J. Chem. Inf. Model.
Lin Ji, Yue Li, Jie Wang, An Ning, Naixin Zhang, Shengyao Liang, Jiyun He, Tianyu Zhang, Zexing Qu, Jiali Gao
2020 J jnl
A self-consistent coulomb bath model using density fitting.
J. Comput. Chem.
Xin Chen, Zexing Qu, Bingbing Suo, Jiali Gao
2011 J jnl
Dipole preserving and polarization consistent charges.
J. Comput. Chem.
Peng Zhang, Peng Bao, Jiali Gao
2011 J jnl
The opsin shift and mechanism of spectral tuning in rhodopsin.
J. Comput. Chem.
Ramkumar Rajamani, Yen-Lin Lin, Jiali Gao
2009 J jnl
CHARMM: The biomolecular simulation program.
J. Comput. Chem.
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, Victor 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
2007 J jnl
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.
Jiali Gao, Kin-Yiu Wong, Dan Thomas Major
2003 J jnl
Hydride transfer catalyzed by xylose isomerase: Mechanism and quantum effects.
J. Comput. Chem.
Mireia Garcia-Viloca, Cristóbal Alhambra, Donald G. Truhlar, Jiali Gao
2003 J jnl
Implementation of an adaptive umbrella sampling method for the calculation of multidimensional potential of mean force of chemical reactions in solution.
J. Comput. Chem.
Ramkumar Rajamani, Kevin J. Naidoo, Jiali Gao
2002 J jnl
Combined QM/MM study of the opsin shift in bacteriorhodopsin.
J. Comput. Chem.
Ramkumar Rajamani, Jiali Gao
2000 J jnl
Ab initio QM/MM simulations with a molecular orbital-valence bond (MOVB) method: application to an SN2 reaction in water.
J. Comput. Chem.
Yirong Mo, Jiali Gao
2000 J jnl
Hydrogen-bonding interactions in the active site of a low molecular weight protein-tyrosine phosphatase.
J. Comput. Chem.
Cristóbal Alhambra, Jiali Gao
1997 J jnl
A molecular mechanics force field for NAD+ NADH, and the pyrophosphate groups of nucleotides.
J. Comput. Chem.
Joseph J. Pavelites, Jiali Gao, Paul A. Bash, Alexander D. MacKerell Jr.
1997 J jnl
Energy components of aqueous solution: Insight from hybrid QM/MM simulations using a polarizable solvent model.
J. Comput. Chem.
Jiali Gao
1996 J jnl
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.
Marek Freindorf, Jiali Gao