Kuang Yu

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 14

Top Topics

Machine Learning

Molecular Dynamics

Transition Metal

Top Venues

Journal of chemical theory and computation

ACS applied materials & interfaces

The journal of physical chemistry letters

The Journal of chemical physics

This page only lists publications with an associated author ORCID identifier.

Publications

Zheng Cheng, Hangrui Bi, Siyuan Liu, Junmin Chen, Alston J Misquitta, Kuang Yu
Developing a Differentiable Long-Range Force Field for Proteins with E(3) Neural Network-Predicted Asymptotic Parameters. Journal of chemical theory and computation 20 (13) (2024)
Taiping Hu, Guangchao Han, Yuan Guo, Kuang Yu, Yuan-Ping Yi
Efficient and Accurate Estimation of Electronic Polarization Energies for Organic Semiconductors: An Embedding Charge Quantum Mechanics/Continuum Dielectric Model. Journal of chemical theory and computation 20 (12) (2024)
Taiping Hu, Guangchao Han, Yuan Guo, Kuang Yu, Yuan-Ping Yi
Efficient and Accurate Estimation of Electronic Polarization Energies for Organic Semiconductors: An Embedding Charge Quantum Mechanics/Continuum Dielectric Model. Journal of chemical theory and computation (2024)
Wentao Zhang, Gaoshang Zhang, Jiabin Ma, Zhaotian Xie, Ziyao Gao, Kuang Yu, Lele Peng
The Role of Transition Metal Versus Coordination Mode in Single-Atom Catalyst for Electrocatalytic Sulfur Reduction Reaction. ACS applied materials & interfaces (2024)
Zheng Cheng, Hangrui Bi, Siyuan Liu, Junmin Chen, Alston J Misquitta, Kuang Yu
Developing a Differentiable Long-Range Force Field for Proteins with E(3) Neural Network-Predicted Asymptotic Parameters. Journal of chemical theory and computation (2024)
Xinyan Wang, Jichen Li, Lan Yang, Feiyang Chen, Yingze Wang, Junhan Chang, Junmin Chen, Wei Feng, Linfeng Zhang, Kuang Yu
DMFF: An Open-Source Automatic Differentiable Platform for Molecular Force Field Development and Molecular Dynamics Simulation. Journal of chemical theory and computation (2023)
Bin Jin, Taiping Hu, Kuang Yu, Shenzhen Xu
Constrained Hybrid Monte Carlo Sampling Made Simple for Chemical Reaction Simulations. Journal of chemical theory and computation (2023)
Junmin Chen, Kuang Yu
PhyNEO: A Neural-Network-Enhanced Physics-Driven Force Field Development Workflow for Bulk Organic Molecule and Polymer Simulations. Journal of chemical theory and computation 20 (1) (2023)
Junmin Chen, Kuang Yu
PhyNEO: A Neural-Network-Enhanced Physics-Driven Force Field Development Workflow for Bulk Organic Molecule and Polymer Simulations. Journal of chemical theory and computation (2023)
Lan Yang, Jichen Li, Feiyang Chen, Kuang Yu
A transferrable range-separated force field for water: Combining the power of both physically-motivated models and machine learning techniques. The Journal of chemical physics 157 (21) (2022)
Kangning Cai, Geng Zhong, Han Zheng, Guohuang Kang, Rui Yin, Tianqi Jia, Shifei Huang, Kuang Yu, Lele Peng, Feiyu Kang, Yidan Cao
Facile Electroless Plating Method to Fabricate a Nickel-Phosphorus-Modified Copper Current Collector for a Lean Lithium-Metal Anode. ACS applied materials & interfaces 14 (40) (2022)
Yicong Zhou, Lanshu Xu, Minsu Liu, Zheng Qi, Wenbo Wang, Jiuyi Zhu, Shaohua Chen, Kuang Yu, Yang Su, Baofu Ding, Ling Qiu, Hui-Ming Cheng
Viscous Solvent-Assisted Planetary Ball Milling for the Scalable Production of Large Ultrathin Two-Dimensional Materials. ACS nano 16 (7) (2022)
Xufei Wang, Yuanda Xu, Han Zheng, Kuang Yu
A Scalable Graph Neural Network Method for Developing an Accurate Force Field of Large Flexible Organic Molecules. The journal of physical chemistry letters 12 (33) (2021)
Wenhui Ding, Xianjun Tan, Guanhan Chen, Jingyi Xu, Kuang Yu, Yuxiong Huang
Molecular-Level Insights on the Facet-Dependent Degradation of Perfluorooctanoic Acid. ACS applied materials & interfaces 13 (35) (2021)