In tribology, a considerable number of computational and experimental approaches to
understand the interfacial characteristics of material surfaces in motion and tribological …

Ionised cluster beams have been produced and employed for thin film deposition and
surface processing for half a century. In the last two decades, kiloelectronvolt cluster ions …

Although the direct conversion of gaseous acetylene into value‐added liquid commodity
chemicals is becoming increasingly attractive, the majority of the established methodologies …

Macrocycles have fascinated scientists for over half a century due to their aesthetically
appealing structures and broad utilities in chemical, material, and biological research …

Molecular dynamics with reactive interatomic potentials is the only computationally feasible
approach for modeling at the atomistic level the formation of carbon nanoparticles from gas …

Vinyl-substituted alcohols represent a highly useful class of molecular skeletons. The current
method typically requires either stoichiometric metallic reagents or preformed precursors …

Ab initio molecular dynamics simulations and experiments were carried out to study the
interaction between plasma‐produced hydroxyl radicals and organic pollutant molecules in …

Reactive molecular dynamics (MD) simulations were conducted to investigate the soft and
reactive landing of hyperthermal velocity proteins transferred to a vacuum using large argon …

Molecular dynamics simulations are performed to study the reactions in the volume of a low‐
pressure methane plasma diluted in argon. In the first step, a 1D fluid model is used to …

Molecular dynamics simulations are carried out for studying the growth and properties of
polymers from pure acetylene plasma. A mixture of H, C2H, and C2H2 is the initial …