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Journal of Chemical Theory and Computation
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August 3, 2023
Characterization of the Hydrogen-Bond Network in High-Pressure Water by Deep Potential Molecular Dynamics
Renxi Liu, Mohan Chen
Frontiers in Chemistry
|
July 29, 2021
Editorial: Advances in Density Functional Theory and Beyond for Computational Chemistry
Wei Hu, Mohan Chen
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
November 19, 2019
Structure and dynamics of warm dense aluminum: a molecular dynamics study with density functional theory and deep potential
Qianrui Liu, Denghui Lu, Mohan Chen
Membranes
|
April 27, 2023
ZIF-67 Incorporated Sulfonated Poly (Aryl Ether Sulfone) Mixed Matrix Membranes for Pervaporation Separation of Methanol/Methyl Tert-Butyl Ether Mixture
Guanglu Han, Jie Lv, Mohan Chen
Journal of Chemical Theory and Computation
|
June 30, 2025
A Deep Learning Framework for the Electronic Structure of Water: Toward a Universal Model
Xinyuan Liang, Renxi Liu, Mohan Chen
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 16, 2011
Systematically improvable optimized atomic basis sets for ab initio calculations
Mohan Chen, G-C Guo, Lixin He
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
July 29, 2011
Electronic structure interpolation via atomic orbitals
Mohan Chen, G-C Guo, Lixin He
Physical Chemistry Chemical Physics : PCCP
|
June 17, 2022
A caveat of the charge-extrapolation scheme for modeling electrochemical reactions on semiconductor surfaces: an issue induced by a discontinuous Fermi level change
Yu Liu, Xinlong Ding, Mohan Chen, et al.
The Journal of Physical Chemistry. B
|
October 9, 2023
Speciation of La<sup>3+</sup>-Cl<sup>-</sup> Complexes in Hydrothermal Fluids from Deep Potential Molecular Dynamics
Wei Zhang, Li Zhou, Tinggui Yan, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 15, 2022
Solvation structures of calcium and magnesium ions in water with the presence of hydroxide: a study by deep potential molecular dynamics
Jianchuan Liu, Renxi Liu, Yu Cao, et al.
Page
of 6
Search research articles
Search
Showing results (1-10 of 56) with videos related to
Sort By:
Page
of 6
Journal of Chemical Theory and Computation
|
August 3, 2023
Characterization of the Hydrogen-Bond Network in High-Pressure Water by Deep Potential Molecular Dynamics
Renxi Liu, Mohan Chen
Frontiers in Chemistry
|
July 29, 2021
Editorial: Advances in Density Functional Theory and Beyond for Computational Chemistry
Wei Hu, Mohan Chen
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
November 19, 2019
Structure and dynamics of warm dense aluminum: a molecular dynamics study with density functional theory and deep potential
Qianrui Liu, Denghui Lu, Mohan Chen
Membranes
|
April 27, 2023
ZIF-67 Incorporated Sulfonated Poly (Aryl Ether Sulfone) Mixed Matrix Membranes for Pervaporation Separation of Methanol/Methyl Tert-Butyl Ether Mixture
Guanglu Han, Jie Lv, Mohan Chen
Journal of Chemical Theory and Computation
|
June 30, 2025
A Deep Learning Framework for the Electronic Structure of Water: Toward a Universal Model
Xinyuan Liang, Renxi Liu, Mohan Chen
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 16, 2011
Systematically improvable optimized atomic basis sets for ab initio calculations
Mohan Chen, G-C Guo, Lixin He
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
July 29, 2011
Electronic structure interpolation via atomic orbitals
Mohan Chen, G-C Guo, Lixin He
Physical Chemistry Chemical Physics : PCCP
|
June 17, 2022
A caveat of the charge-extrapolation scheme for modeling electrochemical reactions on semiconductor surfaces: an issue induced by a discontinuous Fermi level change
Yu Liu, Xinlong Ding, Mohan Chen, et al.
The Journal of Physical Chemistry. B
|
October 9, 2023
Speciation of La<sup>3+</sup>-Cl<sup>-</sup> Complexes in Hydrothermal Fluids from Deep Potential Molecular Dynamics
Wei Zhang, Li Zhou, Tinggui Yan, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 15, 2022
Solvation structures of calcium and magnesium ions in water with the presence of hydroxide: a study by deep potential molecular dynamics
Jianchuan Liu, Renxi Liu, Yu Cao, et al.
Page
of 6