<p><span style="color: rgb(33, 33, 33);">Understanding how energy is exchanged between molecules and metal surfaces is central to surface chemistry, catalysis, and energy conversion. In many situations, this interaction is not purely adiabatic: electronic excitations in the substrate provide an additional channel for energy dissipation, sometimes described in terms of electronic friction.</span></p><p><span style="color: rgb(33, 33, 33);"> </span></p><p><span style="color: rgb(33, 33, 33);">This talk presents a series of studies using molecular dynamics with electronic friction, alongside recent developments in first-principles methods for describing these effects within the FHI-aims framework. In particular, the implementation of electronic friction enables a consistent, atomistic description of nonadiabatic energy loss.</span></p><p><span style="color: rgb(33, 33, 33);"> </span></p><p><span style="color: rgb(33, 33, 33);">Building on these developments, the dynamics of systems including NO on Au(111), H on Pt(111), and H₂ scattering from different copper facets are examined. These results provide insight into how nonadiabatic energy loss depends on molecular identity, surface structure, and incident conditions, and how it influences experimentally accessible observables such as energy loss distributions and sticking probabilities.</span></p><p><span style="color: rgb(33, 33, 33);"> </span></p><p><span style="color: rgb(33, 33, 33);">Overall, this work highlights the importance of describing this energy loss channel in surface dynamics and demonstrates how advances in first-principles methodology enable predictive simulations of molecule–surface interactions.</span></p>