Force fields for water–surface interaction: is reproduction of the experimental water contact angle enough?
Abstract
Both the experimental contact angle and structural energetic rankings are needed to revisit and develop force fields for interfacial simulations.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2021
- Source ID
- 10.1039/d1cc00426c
Entities
People
- Le Nhan Pham
- Tiffany R Walsh
Organizations
- Air Force Office of Scientific Research
- Deakin University