[S-CG54] Bridging Pore to Reservoir Scales: Advances in AI, Theory, Measurement, Simulation of Flow&Transport

[SCG54-P03] Atomistic Elucidation of CO₂-Water Interfacial Properties via Machine Learning Molecular Dynamics

*Masami Uchida¹, Sungyong Lee², Tetsuya Morishita³, Katsuyuki Matsunaga^1,4, Toshiki Watanabe² (1. Department of Materials Physics, Nagoya University, 2. Department of Earth and Environmental Sciences, Nagoya University, 3. Materials DX Research Center, National Institute of Advanced Industrial Science and Technology (AIST), 4. Nanostructures Research Laboratory, Japan Fine Ceramics Center)

Keywords:Carbon Capture and Storage, Machine-learning interatomic potentials, Density functional theory, Molecular dynamics