Cardiovascular disorders are still challenging and are among the deadly diseases. As a
major risk factor for atherosclerotic cardiovascular disease, dyslipidemia, and high low …

A novel approach based on a coarse-grained representation of topological graphs is
proposed for the automatic analysis of molecular dynamics (MD) trajectories of hydrogen …

This paper reviews some of our developments in algorithmic graph theory, with some
applications in physical chemistry and catalysis. Two levels of granularity in the topological …

Surfactant monolayers at sea spray aerosol (SSA) surfaces regulate various atmospheric
processes including gas transfer, cloud interactions, and radiative properties. Most …

Ice clouds in the upper troposphere are crucial for regulating Earth's climate by affecting
stratospheric humidity and the global radiative balance. A key aspect of cloud formation is …

Molecular graphs are graphs formed by considering atoms as nodes and the connections
between these atoms as edges, which constitute the structure of chemical compounds …

Graph theory has remained one of the most challenging concepts of mathematics for
engineering graduates. Most of the courses of engineering curriculum are application …

When a molecule absorbs light, it enters a non-equilibrium state and triggers a cascade of
non-adiabatic processes. Theoretical modeling of these electronic excitations and the …