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The School of Natural and Computing Sciences

Dr Mark Law

Dr Mark Law
Dr Mark Law
Dr Mark Law

BSc, PhD (Aberdeen)

Senior Lecturer

About
Email Address
m.m.law@abdn.ac.uk
Telephone Number
+44 (0)1224 272933
Office Address

Meston Room G24

School/Department
School of Natural and Computing Sciences
Research

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

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.

 

Publications

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  • Matter-antimatter rearrangements using the R-matrix method

    Kasoar, E., Plummer, M., Van Lydon, L., Law, M. M.
    Frontiers in Physics, vol. 11, 1187537
    Contributions to Journals: Articles

  • Hydrogen molecule-antihydrogen atom potential energy surface and scattering calculations

    Mant, B. P., Law, M. M., Strasburger, K.
    Journal of Physics B: Atomic, Molecular and Optical Physics, vol. 52, no. 18, 185201
    Contributions to Journals: Articles

  • Gaussian basis functions for highly oscillatory scattering wavefunctions

    Mant, B. P., Law, M. M.
    Journal of Physics B: Atomic, Molecular and Optical Physics, vol. 51, no. 7, 075203
    Contributions to Journals: Articles

  • Computational studies of bridging structures and isomerism in substituted disilynes

    Serafin, L. M., Law, M. M., van Mourik, T.
    Journal of Chemical Theory and Computation, vol. 9, no. 6, pp. 2697–2705
    Contributions to Journals: Articles

  • The vibrational bound states of isomerising disilyne

    Law, M. M., Perotto, C. U.
    The Journal of Chemical Physics, vol. 139, no. 6, 064308
    Contributions to Journals: Articles

  • The potential energy surface of isomerising disilyne

    Law, M. M., Fraser-Smith, J. T., Perotto, C. U.
    Physical Chemistry Chemical Physics, vol. 14, no. 19, pp. 6922–6936
    Contributions to Journals: Articles

  • Infrared Spectra of CF2=CHD and CF2=CD2; Scaled Quantum-Chemical Force Fields and an Equilibrium Structure for 1,1-Difluoroethylene

    McKean, D. C., Law, M. M., Groner, P., Conrad, A. R., Tubergen, M. J., Feller, D., Moore, M. C., Craig, N. C.
    Journal of Physical Chemistry A, vol. 114, no. 34, pp. 9309-9318
    Contributions to Journals: Articles

  • Infrared spectra of 12CF2=12CH2 and 12CF2=13CH2, quantum-chemical calculations of anharmonicity, and analyses of resonances

    McKean, D. C., van der Veken, B., Herrebout, W., Law, M. M., Brenner, M. J., Nemchick, D. J., Craig, N. C.
    Journal of Physical Chemistry A, vol. 114, no. 18, pp. 5728-5742
    Contributions to Journals: Articles

  • Scaled quantum chemical force fields for 1,1-difluorocyclopropane and the influence of vibrational anharmonicity

    McKean, D. C., Craig, N. C., Law, M. M.
    Journal of Physical Chemistry A, vol. 112, no. 29, pp. 6760-6771
    Contributions to Journals: Articles

  • Vibrational anharmonicity and harmonic force fields for dichloromethane from quantum-chemical calculations

    McKean, D. C., Craig, N. C., Law, M. M.
    Journal of Physical Chemistry A, vol. 112, no. 40, pp. 10006-10016
    Contributions to Journals: Articles

  • Calculating 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
    Contributions to Journals: Articles

  • 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

  • Anharmonic stretching vibrations expressed as local modes

    Law, M. M., Duncan, J. L.
    Molecular Physics, vol. 93, no. 5, pp. 809-819
    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

  • Vibrational anharmonicity in dideuteromethane: A study of its infrared spectrum up to 17 000 cm-1

    Duncan, J. L., Law, M. M.
    Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, vol. 53, no. 9, pp. 1445-1457
    Contributions to Journals: Articles

  • I-NoLLS: A program for interactive nonlinear least-squares fitting of the parameters of physical models

    Law, M. M., Hutson, J. M.
    Computer Physics Communications, vol. 102, no. 1-3, pp. 252-268
    Contributions to Journals: Articles

  • Microwave spectroscopy and interaction potential of the long-range He⋯Kr+ ion: An example of Hund's case (e)

    Carrington, A., Pyne, C. H., Shaw, A. M., Taylor, S. M., Hutson, J. M., Law, M. M.
    Journal of Chemical Physics, vol. 105, no. 19, pp. 8602-8614
    Contributions to Journals: Articles
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