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The Journal of Chemical Physics
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April 25, 2023
Bruce-Vincent transference numbers from molecular dynamics simulations
Yunqi Shao, Chao Zhang
Journal of the American Chemical Society
|
April 21, 2022
Transference Number in Polymer Electrolytes: Mind the Reference-Frame Gap
Yunqi Shao, Harish Gudla, Daniel Brandell, et al.
Journal of Chemical Theory and Computation
|
July 21, 2023
PiNNwall: Heterogeneous Electrode Models from Integrating Machine Learning and Atomistic Simulation
Thomas Dufils, Lisanne Knijff, Yunqi Shao, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 6, 2018
A unified model of Grignard reagent formation
Yunqi Shao, Zhen Liu, Pan Huang, et al.
The Journal of Physical Chemistry. B
|
May 16, 2020
Role of Viscosity in Deviations from the Nernst-Einstein Relation
Yunqi Shao, Keisuke Shigenobu, Masayoshi Watanabe, et al.
The Journal of Chemical Physics
|
December 2, 2021
Training algorithm matters for the performance of neural network potential: A case study of Adam and the Kalman filter optimizers
Yunqi Shao, Florian M Dietrich, Carl Nettelblad, et al.
International Journal of Hygiene and Environmental Health
|
February 22, 2021
Mass dose rates of particle-bound organic pollutants in the human respiratory tract: Implications for inhalation exposure and risk estimations
Aristeidis Voliotis, Spyridon Bezantakos, Athanasios Besis, et al.
The Journal of Physical Chemistry Letters
|
August 27, 2021
Importance of the Ion-Pair Lifetime in Polymer Electrolytes
Harish Gudla, Yunqi Shao, Supho Phunnarungsi, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 15, 2021
Molecular dynamics simulation of extension-induced crystallization of branched bimodal HDPE: Unraveling the effects of short-chain branches
Yiran Cao, Li Zhao, Jieqi Wang, et al.
Polymers
|
November 14, 2019
Dominant Effects of Short-Chain Branching on the Initial Stage of Nucleation and Formation of Tie Chains for Bimodal Polyethylene as Revealed by Molecular Dynamics Simulation
Yanling Hu, Yunqi Shao, Zhen Liu, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 20) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
April 25, 2023
Bruce-Vincent transference numbers from molecular dynamics simulations
Yunqi Shao, Chao Zhang
Journal of the American Chemical Society
|
April 21, 2022
Transference Number in Polymer Electrolytes: Mind the Reference-Frame Gap
Yunqi Shao, Harish Gudla, Daniel Brandell, et al.
Journal of Chemical Theory and Computation
|
July 21, 2023
PiNNwall: Heterogeneous Electrode Models from Integrating Machine Learning and Atomistic Simulation
Thomas Dufils, Lisanne Knijff, Yunqi Shao, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 6, 2018
A unified model of Grignard reagent formation
Yunqi Shao, Zhen Liu, Pan Huang, et al.
The Journal of Physical Chemistry. B
|
May 16, 2020
Role of Viscosity in Deviations from the Nernst-Einstein Relation
Yunqi Shao, Keisuke Shigenobu, Masayoshi Watanabe, et al.
The Journal of Chemical Physics
|
December 2, 2021
Training algorithm matters for the performance of neural network potential: A case study of Adam and the Kalman filter optimizers
Yunqi Shao, Florian M Dietrich, Carl Nettelblad, et al.
International Journal of Hygiene and Environmental Health
|
February 22, 2021
Mass dose rates of particle-bound organic pollutants in the human respiratory tract: Implications for inhalation exposure and risk estimations
Aristeidis Voliotis, Spyridon Bezantakos, Athanasios Besis, et al.
The Journal of Physical Chemistry Letters
|
August 27, 2021
Importance of the Ion-Pair Lifetime in Polymer Electrolytes
Harish Gudla, Yunqi Shao, Supho Phunnarungsi, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 15, 2021
Molecular dynamics simulation of extension-induced crystallization of branched bimodal HDPE: Unraveling the effects of short-chain branches
Yiran Cao, Li Zhao, Jieqi Wang, et al.
Polymers
|
November 14, 2019
Dominant Effects of Short-Chain Branching on the Initial Stage of Nucleation and Formation of Tie Chains for Bimodal Polyethylene as Revealed by Molecular Dynamics Simulation
Yanling Hu, Yunqi Shao, Zhen Liu, et al.
Page
of 2