PNNL researchers, working under the Chemical Dynamics Initiative (CDI), are developing the scientific foundation to understand and predict the temporal evolution of complex chemical systems in real-world or operational environments. This requires a fundamental understanding of the chemical processes that drive change over a chemical system’s lifespan.
To better predict and understand how complex chemical systems evolve with time in response to their environment, CDI is integrating multidisciplinary capabilities across PNNL for discovery, solutions, and innovation. Taking full advantage of the CDI research team’s expertise in experimental, theoretical, computational, sensing, and data sciences, the initiative’s activities and goals are aligned with PNNL science and energy missions:
The CDI team is developing an integrated capability by leveraging expertise in applied mathematics, theoretical chemistry, and measurement science. The initiative is also developing high-confidence methods to predict provenance and to understand the performance of chemical systems, ranging from small molecules to complex chemical composites. Research is focusing on three areas: