Uncertainty analysis, reported experimental literature data, and density functional theory
were synthesized to model the effect of surface tin coverage on platinum-based catalysts for …

Uncertainty quantification, Bayesian statistics, the reported experimental literature, and
density functional theory are synthesized to identify the active sites for the non-oxidative …

A common goal is extraction of physico‐chemical parameter values such as pre‐
exponentials and activation energies from experiment. Ever increasing knowledge from …

Ethylene removal is crucial for fruits and vegetables preservation because even a very low
concentration (< 0.1 ppm) can induce ripening during storage and transportation. Ag+ …

Both uncertainty quantification (UQ) and Bayesian inference (BI) have been recently
adopted by multiple research groups in the catalysis field. It is noted that the parallel fields of …

In this theoretical work, potential active sites on Pd/SSZ-13 were identified and investigated
for the application of methane oxidation using density functional theory. Unique zeolite …

A method of uncertainty quantification on a quantum circuit using three samples for the Rh
(111)-catalyzed CO oxidation reaction is demonstrated. Three parametrized samples of a …

A series of Ag ion-exchanged ZSM-5 (Si/Al= 11.5) zeolites with different Ag loadings (0.5,
0.8, 1.6, 3.0, 4.6 wt%) were investigated for their ability to adsorb and desorb C 2 H 4 and C …

In this theoretical work, bridged Pd2O x active sites on SSZ-13 are investigated for the
feasibility of methane oxidation. An in-depth reaction mechanism was derived using density …

The integration of artificial intelligence (AI) and chemistry has propelled the advancement of
continuous flow synthesis, facilitating program-controlled automatic process optimization …