Local environment neighbor sensitivity analysis: visualization of cation effect at liquid-solid interface

Key Points

• The aim is to analyze how nearby environmental factors affect local energy distributions in complex systems.
• Developed a method using machine-learning force fields for accurate predictions.
• Extracted local energy effects based on environmental neighbors in heterogeneous systems.
• Utilized visualization techniques to better understand the cation effect at the liquid-solid interface.
• Demonstrated that environmental neighbors significantly influence local energies.
• Showed improvements in modeling accuracy with the use of machine-learning techniques.
• Revealed detailed insights about cation effects at the liquid-solid interface.

Abstract