The expertise of Mark Law’s research group lies in the area of “molecular quantum dynamics”. That is, calculating quantum state energies, wavefunctions and potential energy curves. Such information on vibration-rotation-electronic quantum states of molecules is critical to the understanding of many branches of chemistry and other fields, including spectroscopy, astronomy, nanotechnology, combustion science, atmospheric science, surface chemistry and molecular modelling.

Our work also includes quantum scattering and bound-state calculations on antimatter interacting with normal matter. There is considerable academic and practical interest in the interaction of antimatter with atoms and molecules. For example, antimatter is used in medical PET scanning ("Positron Emission Tomography") and in positron-annihilation-lifetime spectroscopy (PALS) for materials characterisation, whilst one possible future use for antiprotons is in "antiproton-beam cancer therapy".