The Reaction Mechanism Generator (RMG) database for chemical property prediction is
presented. The RMG database consists of curated datasets and estimators for accurately …

The current state and challenges of advanced experimental and modeling methods for a
better understanding of heterogeneous chemical reactions are discussed using examples …

Computational fluid dynamics (CFD) simulation in the design of combustion devices
imposes increased demand on combustion kinetic models with acceptable uncertainties …

In this paper, we introduce for the first time a natural language question-answering (QA)
system specifically designed for the field of combustion kinetics. This system marks a …

In this paper, we develop a knowledge graph-based framework for the automated calibration
of combustion reaction mechanisms and demonstrate its effectiveness on a case study of …

The development of scientific predictive models has been of great interest over the decades.
A scientific model is capable of forecasting domain outcomes without the necessity of …

Validation is an essential procedure in the development of a predictive model in several
engineering fields. In addition, recent data analysis techniques and the increasing …

Fundamental experimental measurements of quantities such as ignition delay times, laminar
flame speeds, and species profiles (among others) serve important roles in understanding …

The pressing challenge of decarbonization encompasses a vast combinatorial space of
interlinked technologies, thus necessitating an increased reliance on artificial intelligence …

This paper presents an automated framework that uses overlapping subsets of reference
data to systematically derive an informed estimate of the standard enthalpy of formation of …