A thorough understanding of the kinetics and dynamics of combusting mixtures is of
considerable interest, especially in regimes beyond the reach of current experimental …

In this paper, computational fluid dynamics (CFD) numerical simulation is used to analyze
and discuss the horizontal propagation process of premixed hydrogen flame with obstacles …

Tritium extraction from heavy water moderators with catalytic exchange reactions had
hydrogen explosion, fire risk, and complicated system design, which restricted the industrial …

External flows of energy, entropy, and matter can cause sudden transitions in the stability of
biological and industrial systems, fundamentally altering their dynamical function. How might …

Complex chemical reaction networks, which underlie many industrial and biological
processes, often exhibit non-monotonic changes in chemical species concentrations. Such …

A value-based method for the numerical identification and analysis of critical (limiting) states
in chemical reaction systems is described. The extreme behavior of the reaction system, in …

Physical kinetic roughening processes are well-known to exhibit universal scaling of
observables that fluctuate in space and time. Are there analogous dynamic scaling laws that …

This thesis is concerned with the application, development, and assessment of
computational approaches to treat chemical reactions from an electronic structure theory …