Bowman Group research featured by Journal of Physical Chemistry Letters

Research from the Bowman Group is featured on the cover of the Journal of Physical Chemistry Letters, one of the highest impact factor journals in the field of Physical Chemistry.

The first author of the featured article is Qi Yu, an Emory chemistry graduate alum now with the Hammes-Schiffer Group at Yale University. Current graduate scholar Apurba Nandi is also an author along with Dr. Bowman, chemistry graduate alum Chen Qu, Dr. Paul Houston of Cornell Univeristy and Riccardo Conte of Università degli Studi di Milano, Italy.

The article reports on the first full quantum mechanical model of water, the liquid of life.  “Our approach makes use of the latest techniques of Machine Learning to represent tens of thousands of electronic energies of the so-called many-body interaction in water.,” says Dr. Joel M. Bowman. “The new model, which we have named “q-AQUA” was shown to be of high accuracy from clusters to the bulk.”

The model has broad potential applications for better describing the thermal and spectroscopic  properties of ice, liquid, and water vapor over a range of temperature and pressure.

Congratulations, Bowman Group and collaborators!