Molecular Simulation of Aerosol Nucleation

It is an important research subject to quantitatively evaluate the production rate of atmospheric aerosols because atmospheric aerosols, which act as cloud condensation nuclei, significantly affect the Earth's climate. However, we cannot still directly observe the nucleation process of atmospheric aerosols occurring at the nanometer scale. The holistic simulation research program is trying to quantitatively understand the nucleation process of aerosols using a combination of ab initio quantum calculations and classical molecular dynamics simulations.

Nucleation process of sulfuric acid aerosols
Nucleation process of sulfuric acid aerosols.

Homogeneous vapor-liquid nucleation of water

Homogeneous vapor-liquid nucleation of water.