Unveiling the impact of small dissolved molecules on the properties of water
Abstract
Water’s unusual properties arise from the interplay between ordered and disordered hydrogen‑bond arrangements. Small dissolved molecules can influence this balance, but the extent and nature of their impact remain open questions. This project will use molecular dynamics simulations to investigate how solutes alter hydrogen‑bonding patterns and local structural organization across a range of conditions. The resulting molecular‑level insights will help clarify how external species shape water’s structure and will support the interpretation of complementary experimental measurements.