Uncovering Complex Reaction Networks from First Principles
Abstract
A comprehensive research program is focused on developing new simulation methods that can discover and refine, in an unbiased manner"", reaction networks based on ab initio molecular dynamics; this is a discovery-based approach that will allow one to predict the out"come of chemical reactions that are both known and not yet known.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Sep 29, 2017
- Source ID
- N000141712875
Entities
People
- Todd Martinez
Organizations
- Office of Naval Research
- Stanford University
- United States Navy