Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00113J, Paper
DOI: 10.1039/D3FD00113J, Paper
Open Access
This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Venkat Kapil, Dávid Péter Kovács, Gábor Csányi, Angelos Michaelides
We predict the quantum vibrational spectra of complex aqueous interfaces. We learn potentials that encode the quantum nuclear effects and physics-based models of dielectric responses, reducing quantum dynamics to classical molecular dynamics.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry
We predict the quantum vibrational spectra of complex aqueous interfaces. We learn potentials that encode the quantum nuclear effects and physics-based models of dielectric responses, reducing quantum dynamics to classical molecular dynamics.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry