Ab-initio simulations highlight the interplay of molecular dynamics and electronic structure. In this talk I will discuss the role of these effects on phase stability and basic solvation processes.

<b>Award Address </b>(ACS Award in Theoretical Chemistry sponsored by the American Chemical Society). Water: A case study in ab-initio simulations

251st National Meeting (2016)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.

Award Address (ACS Award in Theoretical Chemistry sponsored by the American Chemical Society). Water: A case study in ab-initio simulations