Scanning Tunneling Microscopy (STM) has been a powerful method of imaging surfaces with very high spatial resolution. Another important use of STM is the study of molecular reaction pathways brought about by inelastic electron tunneling. In this process, tunneling electrons containing energy above a threshold bring about an excitation in the molecular system which leads to reaction pathways as the excited molecule consequently relaxes along its potential energy surface.

CO dehydrogenase (CODH) and Acetyl CoA synthase (ACS) belong to the ancient Wood-Ljungdhal pathway, widely speculated to have been the first metabolic pathway to develop in the earliest lifeforms. Early life forms were strictly anaerobic and this metabolic pathway allowed those organisms to grow solely on CO and CO₂. CODH first catalyzes the reversible reduction of CO₂ to CO.

The design of improved nanoporous materials, such as MOFs for water harvesting and carbon capture and zeolites for hydrocarbon synthesis and conversion, requires the reliable prediction of rate and equilibrium constants, i.e. free energies, for adsorption/desorption and elementary reaction steps with no other input than the atomic positions. To be relevant, predictions have to be made with an accuracy that is comparable to experiment.