About 30% of the world's primary energy consumption is in friction. The economic losses
caused by friction energy dissipation and wear account for about 2%–7% of its gross …

From the early models of electronic stop** power to the current first principles simulations,
the techniques evolved to increase the range of validity and to reduce empiricism. Thanks to …

We review the state-of-the-art in the theory of dissociative chemisorption (DC) of small gas
phase molecules on metal surfaces, which is important to modeling heterogeneous catalysis …

Although important to heterogeneous catalysis, the ability to accurately model reactions of
polyatomic molecules with metal surfaces has not kept pace with developments in gas …

Ab initio molecular dynamics (AIMD) simulations of molecule–surface scattering allow first-
principles characterization of the dynamics. However, the large number of density functional …

Molecular adsorbates on metal surfaces exchange energy with substrate phonons and low-
lying electron-hole pair excitations. In the limit of weak coupling, electron-hole pair …

Great success has been achieved in the modeling of gas-surface elementary processes by
the use of the Born-Oppenheimer approximation. However, in metal surfaces low energy …

Electronic friction is a correction to the Born-Oppenheimer approximation, whereby nuclei in
motion experience a drag in the presence of a manifold of electronic states. The notion of …

We present a universal expression for the electronic friction as felt by a set of classical
nuclear degrees of freedom (DOFs) coupled to a manifold of quantum electronic DOFs; no …

The field of gas‐phase chemical dynamics has developed superb experimental methods to
probe the detailed outcome of gas‐phase chemical reactions. These experiments inspired …