Dr Mark Law
Dr Mark Law

Dr Mark Law

BSc PhD (Aberd)

Senior Lecturer


Research Overview

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".


Teaching Responsibilities

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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  • Calculation energy levels of isomerizing tetra-atomic molecules. II. The vibrational states of acetylene and vinylidene.

    Kozin, I. N., Law, M. M., Tennyson, J., Hutson, J. M.
    The Journal of Chemical Physics, vol. 122, no. 064309
    Contributions to Journals: Articles
  • Effective computation of matrix elements between polynomial basis functions

    Kozin, I. N., Tennyson, J., Law, M. M.
    Computer Physics Communications, vol. 165, no. 165, pp. 10-14
    Contributions to Journals: Articles
  • New vibration-rotation code for tetraatomic molecules exhibiting wide-amplitude motion: WAVR4

    Kozin, I. N., Law, M. M., Tennyson, J., Hutson, J. M.
    Computer Physics Communications, no. 163, pp. 117-131
    Contributions to Journals: Articles
  • Calculating energy levels of isomerizing tetraatomic molecules: I. The rovibrational bound states of Ar2HF

    Kozin, I. N., Law, M. M., Hutson, J. M., Tennyson, J.
    The Journal of Chemical Physics, vol. 118, pp. 4896-4904
    Contributions to Journals: Articles
  • The anharmonic potential energy surface of methyl fluoride

    Atkinson, I. A., Law, M. M.
    Spectrochimica Acta Part A, vol. 58, pp. 873-885
    Contributions to Journals: Articles
  • Book review - Infrared Vibration-Rotation Spectroscopy - From Free Radicals to the Infrared Sky (ed. Duxbury,G.)

    Law, M. M.
    Talanta, vol. 53
    Contributions to Journals: Letters
  • The Fourier Transform Infrared Spectra of CH2DF: the v5 and v6 bands

    Atkinson, I. A., Law, M. M.
    Journal of Molecular Spectroscopy, vol. 206, pp. 135-138
    Contributions to Journals: Articles
  • The general harmonic force field of methyl chloride

    Black, G. M., Law, M. M.
    Journal of Molecular Spectroscopy, vol. 205, pp. 280-285
    Contributions to Journals: Articles
  • Joint local- and normal-mode studies of the overtone spectra of the methyl halides: CH3F, CH3Cl, CH3Br, CD3Br, and CH3I

    Law, M. M.
    The Journal of Chemical Physics, vol. 111, pp. 10021-10033
    Contributions to Journals: Articles
  • Anharmonically-coupled local mode to normal mode Hamiltonian transformations: Beyond the x, K-relations

    Law, M. M., Duncan, J. L.
    Molecular Physics, vol. 93, no. 5, pp. 821-830
    Contributions to Journals: Articles
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