Computational chemistry (Team3)
- Development of the machine learning potentials for aqueous electrolytes.
- Modeling of electrolyte solutions for rechargeable batteries for renewable energy storage.
Computational chemistry (Team3)
- To develop the first-principles machine learning potential that can be used to perform molecular dynamic simulations at the first-principles level of accuracy.
- Sum frequency generation spectroscopy simulation of graphenee and water system.
Computational chemistry (Team3)
- Modeling Ionic Conductivities and Li-ion transport mechanism in Solid Polymer Electrolytes
- Investigation of the Role of Internal Rotation on the Anisotropy Decay of Vibrational Probe in Polymer Matrix
- Modeling Separator-Electrolyte Interactions Used in Lithium Ion Batteries