Nature Communications (Oct 2022)

Towards fully ab initio simulation of atmospheric aerosol nucleation

  • Shuai Jiang,
  • Yi-Rong Liu,
  • Teng Huang,
  • Ya-Juan Feng,
  • Chun-Yu Wang,
  • Zhong-Quan Wang,
  • Bin-Jing Ge,
  • Quan-Sheng Liu,
  • Wei-Ran Guang,
  • Wei Huang

DOI
https://doi.org/10.1038/s41467-022-33783-y
Journal volume & issue
Vol. 13, no. 1
pp. 1 – 8

Abstract

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Atmosphere aerosol nucleation contributes to climate change, air pollution, and human health, however the mechanisms are complex and elusive. Here the authors propose a general workflow based on deep neural network-based force field, paving the way towards fully ab initio simulation of atmospheric aerosol nucleation.