Bayesian experimental design is a tool for guiding experiments founded on the principle of expected information gain. I.e., which experiment design will inform the most about the model can be ...

Combustion chemistry and kinetics remain at the forefront of research aimed at optimising fuel efficiency, reducing pollutant emissions and advancing sustainable energy applications. At its core, the ...

A hot gas dissociates very quickly, on the order of microseconds. One might think we could neglect the speed of dissociation, then, and model the gas in an equilibrium state. However, many things ...

Allura Red, a red powdered azo dye, is commonly used in the cosmetic, food, textile, paper, and drug industries. Allura Red goes by several names, the most common being Red 40 or E129. Azo dyes are ...

In addition to an interest in computer modeling and statistical analysis methods, a career in computational chemistry requires patience, logical thinking, and attention to detail. “People skills” are ...