成果/Result
- Multi-body effects in a coarse-grained protein force field被引量：35收藏
- 作者：Wang, Jiang Charron, Nicholas Husic, Brooke Olsson, Simon Noe, Frank
- 机构：Rice Univ;Rice Univ;Guizhou Inst Technol;Rice Univ;Free Univ Berlin
- 来源：JOURNAL OF CHEMICAL PHYSICS 2021
- 关键词：Expansion - Free energy - Proteins
- Effects of π-π Stacking on Shale Gas Adsorption and Transport in Nanopores被引量：3收藏
- 作者：Chen, Fuye Tang, Jiaxuan Wang, Jiang
- 机构：Guizhou Inst Technol
- 来源：ACS OMEGA 2023
- Shale Gas Nanofluid in the Curved Carbon Nanotube: A Molecular Dynamics Simulation Study被引量：1收藏
- 作者：Wang, Jiang Li, Zhiling Zhang, Wenli
- 机构：Guizhou Inst Technol;Guizhou Inst Technol
- 来源：ACS OMEGA 2024
- Methane Adsorption and Transport in Tortuous Slit-like Nanochannels: A Molecular Simulation Study被引量：0收藏
- 作者：Wang, Jiang Tang, Jiaxuan Chen, Fuye
- 机构：Guizhou Inst Technol
- 来源：ACS OMEGA 2024
- Electric field modulated configuration and orientation of aqueous molecule chains被引量：0收藏
- 作者：Wang, Jiang Li, Zhiling
- 机构：Guizhou Inst Technol
- 来源：JOURNAL OF CHEMICAL PHYSICS 2024
- 关键词：Biomolecules - Dipole moment - Molecular docking - Oligomers - Photodissociation - Surface discharges
- A Study of the Methane Oxidation Mechanism and Reaction Pathways Using Reactive Molecular Simulation and Nonlinear Manifold Learning被引量：0收藏
- 作者：Wang, Jiang Tang, Jiaxuan Chen, Fuye
- 机构：Guizhou Inst Technol
- 来源：ACS OMEGA 2024
- The impact of molecular configuration on the bond breaking rates of hydrocarbons: a computational study被引量：0收藏
- 作者：Wang, Jiang Li, Zhiling Zhang, Wenli
- 机构：Guizhou Inst Technol;Guizhou Inst Technol
- 来源：PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2024
- 关键词：Gasoline refining - Molecular dynamics - Reaction rates
