Second-Generation ReaxFF Water Force Field: Improvements in the Description of Water Density and OH-Anion Diffusion

Document Details

Document Type: Pub Defense Publication
Publication Date: Jun 08, 2017
Source ID: 10.1021/acs.jpcb.7b02548

Entities

People

Adri. C. T. Van Duin
Weiwei Zhang

Organizations

Pennsylvania State University
United States Army Research Laboratory