Molecular Dynamics (MD) for Water & Wastewater

MD evolves atomic positions under interatomic potentials to reveal thermodynamic and transport properties from first principles.

In water & wastewater, teams face challenges like flow assurance, mixing and aeration, contaminant transport. The molecular dynamics (md) directly supports use cases such as pipe-network hydraulics, aeration mixing, contaminant dispersion, and PolySim's AI Copilot can recommend settings and catch common setup errors before you run.