Artificial Neural Networks (ANNs) are transforming how we understand chemical mixtures,
providing an expressive view of the chemical space and multiscale processes. Their …

The evolution of life from the prebiotic environment required a gradual process of chemical
evolution towards greater molecular complexity. Elaborate prebiotically relevant synthetic …

In this review, we describe some of the central philosophical issues facing origins-of-life
research and provide a targeted history of the developments that have led to the …

We investigated the kinetics and thermodynamics of the Diels-Alder cycloaddition and
Pechmann condensation to evaluate the significance of both mechanisms toward hydrochar …

Chemical reaction networks can be automatically generated from graph grammar
descriptions, where transformation rules model reaction patterns. Because a molecule graph …

A central question in origins of life research is how non-entailed chemical processes, which
simply dissipate chemical energy because they can do so due to immediate reaction kinetics …

We present an elaborate framework for formally modelling pathways in chemical reaction
networks on a mechanistic level. Networks are modelled mathematically as directed multi …

Computational techniques are required for narrowing down the vast space of possibilities to
plausible prebiotic scenarios, because precise information on the molecular composition …

Engineering microbes to synthesize molecules of societal value has historically been a time
consuming and artisanal process, with the synthesis of each new non-native molecule …

In an effort to expand the domain of mathematical chemistry and inspire research beyond
the realms of graph theory and quantum chemistry, we explore five mathematical chemistry …