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.
Homogeneous vapor-liquid nucleation of water.