Dr Mark Law
BSc PhD (Aberd)
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".
Dr Law teaches in the following courses:
- CM1021 Chemistry for the Physical Sciences 1
- CM1022 Elements of Chemistry 1
- CM2015 Energetics of Change in Chemical and Biological Processes
- CM30PS/PX30PS Professional Skills for Physics and Chemistry
- CM3536 Molecular Structure and Reactivity (Quantum Chemistry)
- CM4037/CM4537 Honours/Advanced Chemistry
Dr Law is a Personal Tutor and Level 4 Chemistry Course Coordinator.
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Hydrogen molecule-antihydrogen atom potential energy surface and scattering calculationsJournal of Physics B: Atomic, Molecular and Optical Physics, vol. 52, no. 18, 185201Contributions to Journals: Articles
Gaussian basis functions for highly oscillatory scattering wavefunctionsJournal of Physics B: Atomic, Molecular and Optical Physics, vol. 51, no. 7, 075203Contributions to Journals: Articles
Computational studies of bridging structures and isomerism in substituted disilynesJournal of Chemical Theory and Computation, vol. 9, no. 6, pp. 2697–2705Contributions to Journals: Articles
The vibrational bound states of isomerising disilyneThe Journal of Chemical Physics, vol. 139, no. 6, 064308Contributions to Journals: Articles
The potential energy surface of isomerising disilynePhysical Chemistry Chemical Physics, vol. 14, no. 19, pp. 6922–6936Contributions to Journals: Articles
Infrared Spectra of CF2=CHD and CF2=CD2; Scaled Quantum-Chemical Force Fields and an Equilibrium Structure for 1,1-DifluoroethyleneJournal of Physical Chemistry A, vol. 114, no. 34, pp. 9309-9318Contributions to Journals: Articles
Infrared spectra of 12CF2=12CH2 and 12CF2=13CH2, quantum-chemical calculations of anharmonicity, and analyses of resonancesJournal of Physical Chemistry A, vol. 114, no. 18, pp. 5728-5742Contributions to Journals: Articles
Scaled quantum chemical force fields for 1,1-difluorocyclopropane and the influence of vibrational anharmonicityJournal of Physical Chemistry A, vol. 112, no. 29, pp. 6760-6771Contributions to Journals: Articles
Vibrational anharmonicity and harmonic force fields for dichloromethane from quantum-chemical calculationsJournal of Physical Chemistry A, vol. 112, no. 40, pp. 10006-10016Contributions to Journals: Articles
Calculating energy levels of isomerizing tetra-atomic molecules. II. The vibrational states of acetylene and vinylideneThe Journal of Chemical Physics, vol. 122Contributions to Journals: Articles